2-(4-Methylphenyl)-4-quinolinecarboxylic acid

C₁₇H₁₃NO₂CAS 20389-05-3263.30 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₇H₁₃NO₂
Molar mass: 263.30 g/mol
Exact mass: 263.0946 Da
Melting point: 211 °C
logP: 3.91Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

20389-05-3

SMILES

Cc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1

InChIKey

CKOMAFAOCHXEQX-UHFFFAOYSA-N

InChI

InChI=1S/C17H13NO2/c1-11-6-8-12(9-7-11)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)

Weigh it out

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Names and synonyms

5 names

4-Quinolinecarboxylic acid, 2-(4-methylphenyl)-
Cinchoninic acid, 2-p-tolyl-
Cinchophen, 4′-methyl-
2-(4-Methylphenyl)quinoline-4-carboxylic acid
2-(4′-Methylphenyl)quinoline-4-carboxylic acid

Work with 2-(4-Methylphenyl)-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

2-(4-Hydroxyphenyl)quinoline-4-carboxylic acid6952-34-774 % similar 2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid103914-52-973 % similar 2-(4-Chloro-phenyl)-quinoline-4-carboxylic acid5466-31-973 % similar Bicinchoninic acid1245-13-272 % similar 2-(4-Methoxyphenyl)quinoline-4-carboxylic acid4364-02-772 % similar 2-(3-Chlorophenyl)-4-quinolinecarboxylic acid20389-10-064 % similar 2-Methyl-quinoline-4-carboxylic acid634-38-863 % similar 2-(3-Bromophenyl)quinoline-4-carboxylic acid298230-83-863 % similar

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

Same formula

Naphthol AS92-77-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook