2-(3-Chlorophenyl)-4-quinolinecarboxylic acid

C₁₆H₁₀ClNO₂CAS 20389-10-0283.71 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: 244–246 °C
logP: 4.25Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

20389-10-0

SMILES

O=C(O)c1cc(-c2cccc(Cl)c2)nc2ccccc12

InChIKey

QPDXYIKQOBZSGQ-UHFFFAOYSA-N

InChI

InChI=1S/C16H10ClNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)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-(3-chlorophenyl)-
Cinchoninic acid, 2-(m-chlorophenyl)-
2-(3-Chlorophenyl)quinoline-4-carboxylic acid
NSC 123857

Work with 2-(3-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 acid1245-13-270 % similar 6-Chloro-2-(4-chlorophenyl)-4-quinoline carboxylic acid126088-20-865 % similar 2-(4-Methylphenyl)-4-quinolinecarboxylic acid20389-05-364 % similar 2-Chloro-4-quinolinecarboxylic acid5467-57-261 % similar 3′-Chloro[1,1′-biphenyl]-3-carboxylic acid168619-06-552 % similar 3-Chlorobenzoic acid535-80-847 % similar 4-Quinolinecarboxylic acid486-74-846 % similar 2-Chloro-3-quinolinecarboxylic acid73776-25-745 % similar

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

Same formula

2-(2-Chlorophenyl)-4-quinolinecarboxylic acid20389-09-7

Elsewhere

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