chempirical

6-Chloro-2-(4-chlorophenyl)-4-quinoline carboxylic acid

C16H9Cl2NO2CAS 126088-20-8318.15 g/mol

Open in Covalent MOL file
NClOOHCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C16H9Cl2NO2
Molar mass
318.15 g/mol
Exact mass
317.0010 Da
logP
4.91Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
126088-20-8
SMILES
C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)O)Cl
InChIKey
ICGJQZNTTPOWLN-UHFFFAOYSA-N
InChI
InChI=1S/C16H9Cl2NO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)

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Names and synonyms

1 names
  • 6-Chloro-2-(4-chlorophenyl)-4-quinolinecarboxylic acid

Work with 6-Chloro-2-(4-chlorophenyl)-4-quinoline carboxylic 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-(3-Chlorophenyl)-4-quinolinecarboxylic acid20389-10-065 % similar 2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid103914-52-956 % similar 2-(4-Methylphenyl)-4-quinolinecarboxylic acid20389-05-356 % similar Bicinchoninic acid1245-13-253 % similar 2-(2-Chlorophenyl)-4-quinolinecarboxylic acid20389-09-751 % similar 4-Chlorophthalic acid89-20-349 % similar 2,5-Dichlorobenzoic acid50-79-348 % similar 5-Chloroindole-3-carboxylic acid10406-05-047 % similar

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

Elsewhere

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