1.02010-04-08 22:09:40 UTC2019-11-26 03:04:58 UTCFDB011475LepidineAlkaloid from the seeds of Lepidium sativum (garden cress)
Lepidine, or 4-methylquinoline, is a heterocyclic aromatic organic compound. Its methyl group is fairly acidic, allowing for condensations to occur at this position, especially when the nitrogen is quaternized. It is used in the preparation of certain dyes. Lepidine is found in brassicas.«gamma»-methylquinoline4-Lepidine4-Methyl-quinoline4-MethylquinolineCincholepidineGamma-methylquinolineLaquo gammaraquo -methylquinolineLepidinLepidine (6CI,8CI)Quinoline, 4-methyl-Quinoline, 4-methyl- (9CI)C21H20N4O2360.4091360.1586259042-({2-[3-(1H-imidazol-2-ylmethyl)phenoxy]-3-methoxyphenyl}methyl)-1H-imidazole2-({2-[3-(1H-imidazol-2-ylmethyl)phenoxy]-3-methoxyphenyl}methyl)-1H-imidazole100108-65-4COC1=CC=CC(CC2=NC=CN2)=C1OC1=CC=CC(CC2=NC=CN2)=C1InChI=1S/C21H20N4O2/c1-26-18-7-3-5-16(14-20-24-10-11-25-20)21(18)27-17-6-2-4-15(12-17)13-19-22-8-9-23-19/h2-12H,13-14H2,1H3,(H,22,23)(H,24,25)YDQJXVYGARVLRT-UHFFFAOYSA-N belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.DiphenylethersOrganic compoundsBenzenoidsBenzene and substituted derivativesDiphenylethersAromatic heteromonocyclic compoundsAlkyl aryl ethersAnisolesAzacyclic compoundsDiarylethersHeteroaromatic compoundsHydrocarbon derivativesImidazolesMethoxybenzenesOrganonitrogen compoundsOrganopnictogen compoundsPhenoxy compoundsAlkyl aryl etherAnisoleAromatic heteromonocyclic compoundAzacycleAzoleDiaryl etherDiphenyletherEtherHeteroaromatic compoundHydrocarbon derivativeImidazoleMethoxybenzeneOrganic nitrogen compoundOrganic oxygen compoundOrganoheterocyclic compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPhenol etherPhenoxy compoundLiquidlogp3.69logs-4.26solubility1.97e-02 g/lmelting_point9-10 °Clogp2.99pka_strongest_acidic13.09pka_strongest_basic7.33iupac2-({2-[3-(1H-imidazol-2-ylmethyl)phenoxy]-3-methoxyphenyl}methyl)-1H-imidazoleaverage_mass360.4091mono_mass360.158625904smilesCOC1=CC=CC(CC2=NC=CN2)=C1OC1=CC=CC(CC2=NC=CN2)=C1formulaC21H20N4O2inchiInChI=1S/C21H20N4O2/c1-26-18-7-3-5-16(14-20-24-10-11-25-20)21(18)27-17-6-2-4-15(12-17)13-19-22-8-9-23-19/h2-12H,13-14H2,1H3,(H,22,23)(H,24,25)inchikeyYDQJXVYGARVLRT-UHFFFAOYSA-Npolar_surface_area75.82refractivity103polarizability38.21rotatable_bond_count7acceptor_count3donor_count2physiological_charge2formal_charge0Specdb::CMs26378Specdb::CMs162196Specdb::MsMs324472Specdb::MsMs324473Specdb::MsMs324474Specdb::MsMs372889Specdb::MsMs372890Specdb::MsMs372891Specdb::MsMs2301156Specdb::MsMs2301157Specdb::MsMs2301158Specdb::MsMs3065123Specdb::MsMs3065124Specdb::MsMs3065125HMDB3343748983#<Reference:0x000055567410efa8>BrassicasUnknowngeneric3705