2-(3-Bromophenyl)quinoline-4-carboxylic acid

C₁₆H₁₀BrNO₂CAS 298230-83-8328.17 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₆H₁₀BrNO₂
Molar mass: 328.17 g/mol
Exact mass: 326.9895 Da
logP: 4.36Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

298230-83-8

SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)O

InChIKey

KBIDGMKRLPPRNG-UHFFFAOYSA-N

InChI

InChI=1S/C16H10BrNO2/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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Names and synonyms

1 names

2-(3-Bromo-phenyl)-quinoline-4-carboxylic acid

Work with 2-(3-Bromophenyl)quinoline-4-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 acid20389-10-072 % similar Bicinchoninic acid1245-13-268 % similar 2-(4-Chloro-phenyl)-quinoline-4-carboxylic acid5466-31-966 % similar 2-(4-Hydroxyphenyl)quinoline-4-carboxylic acid6952-34-764 % similar 2-(4-Methylphenyl)-4-quinolinecarboxylic acid20389-05-363 % similar 2-(2-Chlorophenyl)-4-quinolinecarboxylic acid20389-09-760 % similar 2-(4-Methoxyphenyl)quinoline-4-carboxylic acid4364-02-759 % similar 2-Chloro-4-quinolinecarboxylic acid5467-57-257 % similar

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

Same formula

2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid103914-52-9 6-Bromo-2-phenyl-quinoline-4-carboxylic acid33007-99-7

Elsewhere

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