methyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate

• ChemBase ID: 310761
• Molecular Formular: C18H14BrNO3
• Molecular Mass: 372.21266
• Monoisotopic Mass: 371.01570531
• SMILES: c1(c2c(nc(c1)c1ccc(cc1)OC)ccc(c2)Br)C(=O)OC
• Canonical SMILES: COC(=O)c1cc(nc2c1cc(Br)cc2)c1ccc(cc1)OC
• InChI: InChI=1S/C18H14BrNO3/c1-22-13-6-3-11(4-7-13)17-10-15(18(21)23-2)14-9-12(19)5-8-16(14)20-17/h3-10H,1-2H3
• InChIKey: RIFJKCGGBHVJOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
• IUPAC Traditional name: methyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
• Synonyms: methyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate

Database IDs

• CAS Number: 355432-91-6
• MDL Number: MFCD01549129

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7784977
• LogD (pH = 7.4): 4.778534
• Log P: 4.7785344
• Molar Refractivity: 90.8548 cm^3
• Polarizability: 37.486893 Å^3
• Polar Surface Area: 48.42 Å^2