Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:09:22 UTC |
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Update date | 2018-05-28 22:25:28 UTC |
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Primary ID | FDB010913 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | 2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline |
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Description | 2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline belongs to the class of organic compounds known as quinoxalines. Quinoxalines are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring. Based on a literature review a significant number of articles have been published on 2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline. |
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CAS Number | 95896-78-9 |
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Structure | |
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Synonyms | Synonym | Source |
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2-amino-3,4,8-trimethylimidazo(4,5-F)Quinoxaline | HMDB, MeSH | 2-amino-3,4,8-trimethylimidazo[4,5-F ]Quinoxaline | HMDB | 3,4,8-Trimethyl-3H-imidazo(4,5-F)quinoxalin-2-amine | HMDB | 3,4,8-Trimethyl-3H-imidazo[4,5-F]quinoxalin-2-amine, 9ci | HMDB | 3,4,8-trimethylimidazo(4,5-F)Quinoxalin-2-amine | HMDB, MeSH | 4,8-Di-meiqx | HMDB | 4,8-Dimethyl iqx | HMDB | 4,8-Dimethyl-iqx | HMDB | Di-meiqx | HMDB | Dimethyl-iqx | HMDB | 3,4,8-MeIQX | MeSH, HMDB | 4,8-DiMeIQx | MeSH, HMDB | 2-Amino-3,4,8-trimethylimidazo(4,5-f)quinoxaline | biospider | 2-Amino-3,4,8-trimethylimidazo[4,5-f ]quinoxaline | biospider | 3,4,8-Trimethyl-3H-imidazo(4,5-f)quinoxalin-2-amine | biospider | 3,4,8-Trimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine, 9CI | db_source | 3,4,8-Trimethylimidazo(4,5-f)quinoxalin-2-amine | biospider | 3H-Imidazo(4,5-f)quinoxalin-2-amine, 3,4,8-trimethyl- | biospider | 4,8-Di-MeIQx | db_source | 4,8-Dimethyl IQX | biospider | 4,8-Dimethyl-IQX | biospider |
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Predicted Properties | |
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Chemical Formula | C12H13N5 |
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IUPAC name | 3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine |
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InChI Identifier | InChI=1S/C12H13N5/c1-6-4-8-9(15-7(2)5-14-8)10-11(6)17(3)12(13)16-10/h4-5H,1-3H3,(H2,13,16) |
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InChI Key | LAZSIJHHPMHKQI-UHFFFAOYSA-N |
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Isomeric SMILES | CN1C(N)=NC2=C1C(C)=CC1=C2N=C(C)C=N1 |
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Average Molecular Weight | 227.2651 |
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Monoisotopic Molecular Weight | 227.117095441 |
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Classification |
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Description | Belongs to the class of organic compounds known as quinoxalines. Quinoxalines are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Diazanaphthalenes |
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Sub Class | Benzodiazines |
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Direct Parent | Quinoxalines |
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Alternative Parents | |
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Substituents | - Quinoxaline
- Benzimidazole
- Aminoimidazole
- Benzenoid
- Pyrazine
- N-substituted imidazole
- Azole
- Heteroaromatic compound
- Imidazole
- Azacycle
- Primary amine
- Amine
- Hydrocarbon derivative
- Organopnictogen compound
- Organic nitrogen compound
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Disposition | Source: Biological location: |
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Role | Biological role: |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | C 63.42%; H 5.77%; N 30.82% | DFC |
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Melting Point | Mp 300° | DFC |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | 2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0h9a-0940000000-287862590f79af87e30c | Spectrum | Predicted GC-MS | 2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0090000000-7abee065db4c96324989 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0190000000-5ddf35b2e0858da7c22c | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-05am-1910000000-ff5135ab675447c758c2 | 2016-06-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0090000000-21bed679607205f1e60a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0190000000-213c797e2d539b492d32 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03dl-5590000000-dea2ecb8b10fa6387dff | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0090000000-eaa75a9a8c9828a1b313 | 2021-09-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0390000000-51dde21eb5f0e0f76453 | 2021-09-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-05fs-0900000000-155b8adfd1cb3b5950cf | 2021-09-21 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0090000000-7d0a9d062589b22b4faf | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-0090000000-490293f154e2cc683e9f | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a6s-4920000000-c9f7bda89466009a3457 | 2021-09-25 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 94552 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 104739 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB32928 |
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CRC / DFC (Dictionary of Food Compounds) ID | FVD66-E:FVD66-E |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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