6-bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl chloride

• ChemBase ID: 56361
• Molecular Formular: C17H11BrClNO2
• Molecular Mass: 376.63174
• Monoisotopic Mass: 374.96616828
• SMILES: c1(c2c(nc(c1)c1ccc(cc1)OC)ccc(c2)Br)C(=O)Cl
• Canonical SMILES: COc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)Cl)Br
• InChI: InChI=1S/C17H11BrClNO2/c1-22-12-5-2-10(3-6-12)16-9-14(17(19)21)13-8-11(18)4-7-15(13)20-16/h2-9H,1H3
• InChIKey: DGHPLVZBGJSHAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl chloride
• IUPAC Traditional name: 6-bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl chloride
• Synonyms: 6-Bromo-2-(4-methoxyphenyl)quinoline-4-carbonyl chloride

Database IDs

• MDL Number: MFCD03421109
• PubChem SID: 162061124
• PubChem CID: 15687267

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.9659657
• LogD (pH = 7.4): 4.96597
• Log P: 4.96597
• Molar Refractivity: 89.9442 cm^3
• Polarizability: 36.82351 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false