4-Chloro-7-methoxy-2-phenylquinoline

C₁₆H₁₂ClNOCAS 189816-05-5269.73 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₆H₁₂ClNO
Molar mass: 269.73 g/mol
Exact mass: 269.0607 Da
Melting point: 101–101.5 °C
logP: 4.56Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

189816-05-5

SMILES

COc1ccc2c(Cl)cc(-c3ccccc3)nc2c1

InChIKey

BAZSITKSXXHTNS-UHFFFAOYSA-N

InChI

InChI=1S/C16H12ClNO/c1-19-12-7-8-13-14(17)10-15(18-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3

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Names and synonyms

2 names

Quinoline, 4-chloro-7-methoxy-2-phenyl-
4-Chloro-7-methoxy-2-(phenyl)quinoline

Work with 4-Chloro-7-methoxy-2-phenylquinoline

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

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

Elsewhere

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