chempirical

3-Quinolinecarboxylic acid

C10H7NO2CAS 6480-68-8173.17 g/mol

Open in Covalent MOL file
OHON
Carboxylic acid

Properties

Molecular formula
C10H7NO2
Molar mass
173.17 g/mol
Exact mass
173.0477 Da
Melting point
275 °C
logP
1.93Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
6480-68-8
SMILES
O=C(O)c1cnc2ccccc2c1
InChIKey
DJXNJVFEFSWHLY-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • 3-Carboxyquinoline
  • NSC 403263

Work with 3-Quinolinecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Anthracenecarboxylic acid613-08-154 % similar 1H-Pyrazolo[3,4-B]pyridine-5-carboxylic acid952182-02-453 % similar 2,3-Quinolinedicarboxylic acid643-38-951 % similar 2-Chloro-3-quinolinecarboxylic acid73776-25-749 % similar [2,2′-Bipyridine]-5,5′-dicarboxylic acid1802-30-849 % similar 2,6-Naphthalenedicarboxylic acid1141-38-448 % similar Dinicotinic acid499-81-048 % similar Quinaldic acid93-10-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

α-Cyanocinnamic acid1011-92-3 6-Quinolinecarboxylic acid10349-57-2 6-Isoquinolinecarboxylic acid106778-43-2 1-Nitroso-2-naphthol131-91-9 2-Nitroso-1-naphthol132-53-6 8-Hydroxyquinoline-2-carboxaldehyde14510-06-6 3-(4-Cyanophenyl)-2-propenoic acid18664-39-6 Vinylphthalimide3485-84-5

Elsewhere

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