2-(2-Chlorophenyl)-4-quinolinecarboxylic acid

C₁₆H₁₀ClNO₂CAS 20389-09-7283.71 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₆H₁₀ClNO₂
Molar mass: 283.71 g/mol
Exact mass: 283.0400 Da
Melting point: 233–235 °C
logP: 4.25Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

20389-09-7

SMILES

O=C(O)c1cc(-c2ccccc2Cl)nc2ccccc12

InChIKey

QBRGQUCIJZKQAY-UHFFFAOYSA-N

InChI

InChI=1S/C16H10ClNO2/c17-13-7-3-1-6-11(13)15-9-12(16(19)20)10-5-2-4-8-14(10)18-15/h1-9H,(H,19,20)

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

Names and synonyms

4 names

4-Quinolinecarboxylic acid, 2-(2-chlorophenyl)-
Cinchoninic acid, 2-(o-chlorophenyl)-
2-(o-Chlorophenyl)cinchoninic acid
NSC 109765

Work with 2-(2-Chlorophenyl)-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

Bicinchoninic acid1245-13-274 % similar 2-Chloro-4-quinolinecarboxylic acid5467-57-264 % similar 2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid103914-52-960 % similar 2-(4-Methylphenyl)-4-quinolinecarboxylic acid20389-05-360 % similar 6-Chloro-2-(4-chlorophenyl)-4-quinoline carboxylic acid126088-20-851 % similar 4-Chloronaphthalene-1-carboxylic acid1013-04-349 % similar 4-Quinolinecarboxylic acid486-74-848 % similar 2-Chloro-3-quinolinecarboxylic acid73776-25-747 % similar

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

Same formula

2-(3-Chlorophenyl)-4-quinolinecarboxylic acid20389-10-0

Elsewhere

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