chempirical

4-Quinolinecarboxylic acid

C10H7NO2CAS 486-74-8173.17 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
253 °C
logP
1.93Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
486-74-8
SMILES
O=C(O)c1ccnc2ccccc12
InChIKey
VQMSRUREDGBWKT-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)

Weigh it out

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

Names and synonyms

5 names
  • Cinchoninic acid
  • 4-Carboxyquinoline
  • NSC 13138
  • 4-Quinolinic acid
  • N-Quinoline-4-carboxylic acid

Work with 4-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

1,4-Naphthalenedicarboxylic acid605-70-960 % similar Bicinchoninic acid1245-13-258 % similar 8-Bromoquinoline-4-carboxylic acid121490-67-358 % similar 2-Chloro-4-quinolinecarboxylic acid5467-57-254 % similar 1-Isoquinolinecarboxylic acid486-73-751 % similar Phthalic acid88-99-350 % similar 4-Chloronaphthalene-1-carboxylic acid1013-04-349 % similar 4-Acetyl-1-naphthalenecarboxylic acid131986-05-549 % 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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