4-Methoxy-2-quinolinecarboxylic acid

C₁₁H₉NO₃CAS 15733-83-2203.20 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₉NO₃
Molar mass: 203.20 g/mol
Exact mass: 203.0582 Da
Melting point: 196–197 °C
logP: 1.94Crippen estimate
Polar surface area: 59.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

15733-83-2

SMILES

COc1cc(C(=O)O)nc2ccccc12

InChIKey

AVBKMSSLAIKOGM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

2-Quinolinecarboxylic acid, 4-methoxy-
Quinaldic acid, 4-methoxy-
2-Carboxy-4-methoxyquinoline

Work with 4-Methoxy-2-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

4-(Trifluoromethyl)-2-quinolinecarboxylic acid588702-67-457 % similar 2-(4-Methoxyphenyl)quinoline-4-carboxylic acid4364-02-753 % similar 4-Methoxy-1-naphthalenecarboxylic acid13041-62-852 % similar Acridine-9-carboxylic acid5336-90-351 % similar Bicinchoninic acid1245-13-250 % similar 6-Methoxypicolinic acid26893-73-250 % similar 2-Methoxybenzoic acid529-75-950 % similar o-Anisic acid579-75-950 % similar

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

Same formula

5-Methyl-3-phenylisoxazole-4-carboxylic acid1136-45-4 3-Hydroxy-2-methyl-4-quinolinecarboxylic acid117-57-7 Methyl 3-formyl-1H-indole-6-carboxylate133831-28-4 3-Formyl-1H-indole-1-acetic acid138423-98-0 (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

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