1.0 2011-09-21 00:11:23 UTC 2015-10-09 22:30:51 UTC FDB022275 Quinaldic acid A product of l-tryptophan catabolism, via kynurenic acid, found in human urine. [HMDB] 2-Carboxyquinoline 2-Chinolincarbonsaeure 2-Quinolinecarboxylate 2-Quinolinecarboxylic acid 2-Quinolinylcarboxylate 2-Quinolinylcarboxylic acid Chinaldinsaeure Quinaldate Quinaldic acid Quinaldinate Quinaldinic acid Quinolin-2-carboxylate Quinolin-2-carboxylic acid Quinoline-2-carboxylate Quinoline-2-carboxylic acid C10H7NO2 173.1681 173.047678473 quinoline-2-carboxylic acid quinaldic acid 93-10-7 OC(=O)C1=NC2=C(C=CC=C2)C=C1 InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) LOAUVZALPPNFOQ-UHFFFAOYSA-N belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions. Quinoline carboxylic acids Organic compounds Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyridinecarboxylic acids Aromatic heteropolycyclic compound Azacycle Benzenoid Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Pyridine carboxylic acid Pyridine carboxylic acid or derivatives Quinoline-2-carboxylic acid quinolinemonocarboxylic acid Solid logp 1.44 ALOGPS logs -2.36 ALOGPS solubility 7.60e-01 g/l ALOGPS logp 0.79 ChemAxon pka_strongest_acidic 1.1 ChemAxon pka_strongest_basic 5.22 ChemAxon iupac quinoline-2-carboxylic acid ChemAxon average_mass 173.1681 ChemAxon mono_mass 173.047678473 ChemAxon smiles OC(=O)C1=NC2=C(C=CC=C2)C=C1 ChemAxon formula C10H7NO2 ChemAxon inchi InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13) ChemAxon inchikey LOAUVZALPPNFOQ-UHFFFAOYSA-N ChemAxon polar_surface_area 50.19 ChemAxon refractivity 46.86 ChemAxon polarizability 17.27 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 1563 Specdb::MsIr 902 Specdb::MsIr 903 Specdb::MsIr 904 Specdb::CMs 9040 Specdb::CMs 32197 Specdb::CMs 37797 Specdb::CMs 99616 Specdb::CMs 155806 Specdb::CMs 1079404 Specdb::NmrTwoD 1505 Specdb::MsMs 1187 Specdb::MsMs 1188 Specdb::MsMs 1189 Specdb::MsMs 263394 Specdb::MsMs 263395 Specdb::MsMs 263396 Specdb::MsMs 283323 Specdb::MsMs 283324 Specdb::MsMs 283325 Specdb::MsMs 451980 Specdb::MsMs 2236547 Specdb::MsMs 2236849 Specdb::MsMs 2238614 Specdb::MsMs 2238947 Specdb::MsMs 2240613 Specdb::MsMs 2241102 Specdb::MsMs 2242710 Specdb::MsMs 2243116 Specdb::MsMs 2249052 Specdb::MsMs 2249319 Specdb::MsMs 2250332 Specdb::MsMs 2252074 Specdb::MsMs 2733708 Specdb::MsMs 2733709 Specdb::MsMs 2733710 HMDB00842 18386 QNC #<Reference:0x000055ce3234fd90> #<Reference:0x000055ce3234fbd8> #<Reference:0x000055ce3234fa20> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823