1.0 2010-04-08 22:14:48 UTC 2019-11-26 03:18:29 UTC FDB020113 N-Methylschinifoline Alkaloid from roots of Zanthoxylum simulans (Szechuan pepper). N-Methylschinifoline is found in herbs and spices and fruits. N-Methylschinifoline C16H17NO2 255.3117 255.125928793 4-methoxy-1-methyl-3-[(1E)-3-methylbuta-1,3-dien-1-yl]-1,2-dihydroquinolin-2-one 4-methoxy-1-methyl-3-[(1E)-3-methylbuta-1,3-dien-1-yl]quinolin-2-one 149998-43-6 COC1=C(\C=C\C(C)=C)C(=O)N(C)C2=CC=CC=C12 InChI=1S/C16H17NO2/c1-11(2)9-10-13-15(19-4)12-7-5-6-8-14(12)17(3)16(13)18/h5-10H,1H2,2-4H3/b10-9+ KUJRJLUCKWRGPV-MDZDMXLPSA-N belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. Hydroquinolones Organic compounds Organoheterocyclic compounds Quinolines and derivatives Quinolones and derivatives Aromatic heteropolycyclic compounds Alkyl aryl ethers Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Pyridinones Vinylogous esters Alkyl aryl ether Aromatic heteropolycyclic compound Azacycle Benzenoid Dihydroquinoline Dihydroquinolone Ether Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Pyridinone Vinylogous ester logp 2.86 ALOGPS logs -3.25 ALOGPS solubility 1.44e-01 g/l ALOGPS logp 2.13 ChemAxon pka_strongest_basic -0.64 ChemAxon iupac 4-methoxy-1-methyl-3-[(1E)-3-methylbuta-1,3-dien-1-yl]-1,2-dihydroquinolin-2-one ChemAxon average_mass 255.3117 ChemAxon mono_mass 255.125928793 ChemAxon smiles COC1=C(\C=C\C(C)=C)C(=O)N(C)C2=CC=CC=C12 ChemAxon formula C16H17NO2 ChemAxon inchi InChI=1S/C16H17NO2/c1-11(2)9-10-13-15(19-4)12-7-5-6-8-14(12)17(3)16(13)18/h5-10H,1H2,2-4H3/b10-9+ ChemAxon inchikey KUJRJLUCKWRGPV-MDZDMXLPSA-N ChemAxon polar_surface_area 29.54 ChemAxon refractivity 78.64 ChemAxon polarizability 28.55 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9839 Specdb::CMs 165684 Specdb::MsMs 287758 Specdb::MsMs 287759 Specdb::MsMs 287760 Specdb::MsMs 326659 Specdb::MsMs 326660 Specdb::MsMs 326661 Specdb::MsMs 2377744 Specdb::MsMs 2377745 Specdb::MsMs 2377746 Specdb::MsMs 2561775 Specdb::MsMs 2561776 Specdb::MsMs 2561777 HMDB40381 #<Reference:0x000055ce31cd18b0> Fruits Unknown generic Herbs and Spices Unknown generic