2-(4-Methoxyphenyl)quinoline-4-carboxylic acid

C₁₇H₁₃NO₃CAS 4364-02-7279.30 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₇H₁₃NO₃
Molar mass: 279.30 g/mol
Exact mass: 279.0895 Da
logP: 3.61Crippen estimate
Polar surface area: 59.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

4364-02-7

SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChIKey

ZCNPYYVKVXSLQF-UHFFFAOYSA-N

InChI

InChI=1S/C17H13NO3/c1-21-12-8-6-11(7-9-12)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

1 names

2-(4-Methoxy-phenyl)-quinoline-4-carboxylic acid

Work with 2-(4-Methoxyphenyl)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-(4-Methylphenyl)-4-quinolinecarboxylic acid20389-05-372 % similar 2-(4-Hydroxyphenyl)quinoline-4-carboxylic acid6952-34-770 % similar 2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid103914-52-968 % similar 2-(4-Chloro-phenyl)-quinoline-4-carboxylic acid5466-31-968 % similar Bicinchoninic acid1245-13-267 % similar 2-(3-Chlorophenyl)-4-quinolinecarboxylic acid20389-10-060 % similar 2-(3-Bromophenyl)quinoline-4-carboxylic acid298230-83-859 % similar 2-(2-Chlorophenyl)quinoline-4-carboxylic acid20389-09-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phthalimidopropiophenone19437-20-8

Elsewhere

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