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
logs
-2.36
solubility
7.60e-01 g/l
logp
0.79
pka_strongest_acidic
1.1
pka_strongest_basic
5.22
iupac
quinoline-2-carboxylic acid
average_mass
173.1681
mono_mass
173.047678473
smiles
OC(=O)C1=NC2=C(C=CC=C2)C=C1
formula
C10H7NO2
inchi
InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)
inchikey
LOAUVZALPPNFOQ-UHFFFAOYSA-N
polar_surface_area
50.19
refractivity
46.86
polarizability
17.27
rotatable_bond_count
1
acceptor_count
3
donor_count
1
physiological_charge
-1
formal_charge
0
Specdb::NmrTwoD
1505
Specdb::MsIr
902
Specdb::MsIr
903
Specdb::MsIr
904
Specdb::NmrOneD
1563
Specdb::CMs
9040
Specdb::CMs
32197
Specdb::CMs
37797
Specdb::CMs
99616
Specdb::CMs
155806
Specdb::CMs
1079404
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:0x00005556744f34c0>
#<Reference:0x00005556744f32e0>
#<Reference:0x00005556744f3128>
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