Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:04:45 UTC |
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Update date | 2020-02-24 19:10:16 UTC |
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Primary ID | FDB000901 |
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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-dimethylimidazo[4,5-f]quinoline |
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Description | 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline has been detected, but not quantified in, fishes. This could make 2-amino-3,4-dimethylimidazo[4,5-F]quinoline a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline. |
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CAS Number | 77094-11-2 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C12H12N4 |
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IUPAC name | 3,4-dimethyl-3H-imidazo[4,5-f]quinolin-2-amine |
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InChI Identifier | InChI=1S/C12H12N4/c1-7-6-9-8(4-3-5-14-9)10-11(7)16(2)12(13)15-10/h3-6H,1-2H3,(H2,13,15) |
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InChI Key | GMGWMIJIGUYNAY-UHFFFAOYSA-N |
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Isomeric SMILES | CN1C(N)=NC2=C1C(C)=CC1=C2C=CC=N1 |
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Average Molecular Weight | 212.2505 |
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Monoisotopic Molecular Weight | 212.106196404 |
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Classification |
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Description | Belongs to the class of organic compounds known as quinolines and derivatives. Quinolines and derivatives are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Quinolines and derivatives |
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Sub Class | Not Available |
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Direct Parent | Quinolines and derivatives |
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Alternative Parents | |
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Substituents | - Quinoline
- Benzimidazole
- Benzenoid
- Pyridine
- N-substituted imidazole
- Heteroaromatic compound
- Imidazole
- Azole
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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Ontology |
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Disposition | Route of exposure: Source: Biological location: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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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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GC-MS | 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline, non-derivatized, GC-MS Spectrum | splash10-03di-8940000000-aa185a7a78736c9c93d5 | Spectrum | GC-MS | 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline, non-derivatized, GC-MS Spectrum | splash10-03di-8940000000-aa185a7a78736c9c93d5 | Spectrum | Predicted GC-MS | 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03l9-0910000000-df19e2fcb04b0299ccb7 | Spectrum | Predicted GC-MS | 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline, 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 | splash10-03di-0090000000-7040271398e092c0becf | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0390000000-79d6efa585c549f92128 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-053u-1900000000-3817a0a0d58ab2931b96 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0090000000-01e73483fd6f3ca9c6ec | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-0390000000-c3dd4473325a998efc92 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9500000000-4306a91f098eb14303b7 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0090000000-1dfee5e411b2b34a5d9a | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0090000000-cbc31b7954c2ba94f60c | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000y-0900000000-9089f9322a70e66a5678 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-0090000000-ee82da60aca6a97631ca | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-0090000000-ee82da60aca6a97631ca | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01q9-0930000000-f34176bd56f58234bf5a | 2021-09-25 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 56075 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C19254 |
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Pubchem Compound ID | 62274 |
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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 | HMDB29707 |
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CRC / DFC (Dictionary of Food Compounds) ID | BMC93-C:BMC93-C |
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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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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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