3-Benzyl-6-bromo-2-methoxyquinoline

C₁₇H₁₄BrNOCAS 654655-69-3328.21 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₇H₁₄BrNO
Molar mass: 328.21 g/mol
Exact mass: 327.0259 Da
Melting point: 82–83 °C
logP: 4.60Crippen estimate
Polar surface area: 22.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

654655-69-3

SMILES

COc1nc2ccc(Br)cc2cc1Cc1ccccc1

InChIKey

WMFHVNYOCKTDMX-UHFFFAOYSA-N

InChI

InChI=1S/C17H14BrNO/c1-20-17-14(9-12-5-3-2-4-6-12)10-13-11-15(18)7-8-16(13)19-17/h2-8,10-11H,9H2,1H3

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Names and synonyms

2 names

Quinoline, 6-bromo-2-methoxy-3-(phenylmethyl)-
6-Bromo-2-methoxy-3-(phenylmethyl)quinoline

Work with 3-Benzyl-6-bromo-2-methoxyquinoline

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

Bedaquiline843663-66-142 % similar 6-Bromo-2-methylquinoline877-42-939 % similar 1-Benzyl-4-bromobenzene2116-36-139 % similar 2-Bromo-6-methoxynaphthalene5111-65-938 % similar 6-Bromo-2-chloroquinoline1810-71-536 % similar 2-Bromodiphenylmethane23450-18-235 % similar 6-Bromoquinoline5332-25-235 % similar 4-Bromo-2-methoxybenzyl alcohol 9717102-63-535 % similar

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

Elsewhere

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