3-Hydroxy-2-methyl-4-quinolinecarboxylic acid

C₁₁H₉NO₃CAS 117-57-7203.20 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol

Properties

Molecular formula: C₁₁H₉NO₃
Molar mass: 203.20 g/mol
Exact mass: 203.0582 Da
Melting point: 229–230 °C (decomposes)
logP: 1.95Crippen estimate
Polar surface area: 70.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed18.4% of notifiers
H315 Causes skin irritation81.6% of notifiers
H319 Causes serious eye irritation81.6% of notifiers
H335 May cause respiratory irritation81.6% of notifiers

Aggregated from 49 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

117-57-7

SMILES

Cc1nc2ccccc2c(C(=O)O)c1O

InChIKey

RVGATDHHYVSTQG-UHFFFAOYSA-N

InChI

InChI=1S/C11H9NO3/c1-6-10(13)9(11(14)15)7-4-2-3-5-8(7)12-6/h2-5,13H,1H3,(H,14,15)

Weigh it out

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

Names and synonyms

9 names

4-Quinolinecarboxylic acid, 3-hydroxy-2-methyl-
Cinchoninic acid, 3-hydroxy-2-methyl-
2-Methyl-3-hydroxyquinoline-4-carboxylic acid
3-Hydroxy-2-methylcinchoninic acid
3-Hydroxy-4-quinaldinecarboxylic acid
3-Hydroxy-4-carboxyquinaldine
2-Methyl-3-hydroxy-4-carboxyquinoline
4-Carboxy-3-hydroxy-2-methylquinoline
2-Methyl-3-hydroxyquinoline-4-formic acid

Work with 3-Hydroxy-2-methyl-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

Acridine-9-carboxylic acid5336-90-364 % similar 9-Acridinecarboxylic acid hydrate332927-03-459 % similar 2-Methyl-quinoline-4-carboxylic acid634-38-850 % similar 2-Hydroxycinchoninic acid15733-89-848 % similar Bicinchoninic acid1245-13-247 % similar 2-(4-Methylphenyl)-4-quinolinecarboxylic acid20389-05-344 % similar 2-Chloro-4-quinolinecarboxylic acid5467-57-243 % similar 2,3-Dimethylquinoxaline-6-carboxylic acid17635-26-643 % similar

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

Same formula

5-Methyl-3-phenylisoxazole-4-carboxylic acid1136-45-4 Methyl 3-formyl-1H-indole-6-carboxylate133831-28-4 3-Formyl-1H-indole-1-acetic acid138423-98-0 4-Methoxy-2-quinolinecarboxylic acid15733-83-2 (S)-(+)-N-(2,3-Epoxypropyl)phthalimide161596-47-0 N-(2-Methoxyphenyl)maleimide17392-68-6 Methyl indolyl-3-glyoxylate18372-22-0 3-Formyl-1H-indole-5-carboxylic acid methyl ester197506-83-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook