1.0 2010-04-08 22:09:24 UTC 2019-11-26 03:04:25 UTC FDB010985 2-Undecyl-4(1H)-quinolinone Alkaloid from and roots of Ruta graveolens (rue) (as the main component of an inseparable mixture of 2-alkylquinolones contg. the 2-dodecyl, 2-tridecyl and 2-tetradecyl homologues) (Rutaceae). 2-Undecyl-4(1H)-quinolinone is found in herbs and spices. 4-Hydroxy-2-undecylquinoline C20H29NO 299.4504 299.224914555 2-undecyl-1,4-dihydroquinolin-4-one 2-undecyl-1H-quinolin-4-one 56183-46-1 CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1 InChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22) KKSIGOUTTVXAKQ-UHFFFAOYSA-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 Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyridines and derivatives Vinylogous amides Aromatic heteropolycyclic compound Azacycle Benzenoid Dihydroquinoline Dihydroquinolone Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Vinylogous amide logp 6.75 ALOGPS logs -5.74 ALOGPS solubility 5.40e-04 g/l ALOGPS melting_point Mp 130-132° logp 6.68 ChemAxon pka_strongest_acidic 11.39 ChemAxon pka_strongest_basic 1.54 ChemAxon iupac 2-undecyl-1,4-dihydroquinolin-4-one ChemAxon average_mass 299.4504 ChemAxon mono_mass 299.224914555 ChemAxon smiles CCCCCCCCCCCC1=CC(=O)C2=CC=CC=C2N1 ChemAxon formula C20H29NO ChemAxon inchi InChI=1S/C20H29NO/c1-2-3-4-5-6-7-8-9-10-13-17-16-20(22)18-14-11-12-15-19(18)21-17/h11-12,14-16H,2-10,13H2,1H3,(H,21,22) ChemAxon inchikey KKSIGOUTTVXAKQ-UHFFFAOYSA-N ChemAxon polar_surface_area 29.1 ChemAxon refractivity 96.77 ChemAxon polarizability 38.08 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13416 Specdb::CMs 166162 Specdb::MsMs 13004 Specdb::MsMs 13005 Specdb::MsMs 13006 Specdb::MsMs 19676 Specdb::MsMs 19677 Specdb::MsMs 19678 Specdb::MsMs 374148 Specdb::MsMs 451834 Specdb::MsMs 2401421 Specdb::MsMs 2401422 Specdb::MsMs 2401423 Specdb::MsMs 2533539 Specdb::MsMs 2533540 Specdb::MsMs 2533541 HMDB32996 #<Reference:0x000055ce31e74870> Herbs and Spices Unknown generic