7-chloro-2-(3,4-dimethoxyphenyl)-8-methylquinoline-4-carbonyl chloride

• ChemBase ID: 56600
• Molecular Formular: C19H15Cl2NO3
• Molecular Mass: 376.2333
• Monoisotopic Mass: 375.04289871
• SMILES: c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl
• InChI: InChI=1S/C19H15Cl2NO3/c1-10-14(20)6-5-12-13(19(21)23)9-15(22-18(10)12)11-4-7-16(24-2)17(8-11)25-3/h4-9H,1-3H3
• InChIKey: NDMGQZOGENQWKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-2-(3,4-dimethoxyphenyl)-8-methylquinoline-4-carbonyl chloride
• IUPAC Traditional name: 7-chloro-2-(3,4-dimethoxyphenyl)-8-methylquinoline-4-carbonyl chloride
• Synonyms: 7-Chloro-2-(3,4-dimethoxyphenyl)-8-methylquinoline-4-carbonyl chloride

Database IDs

• MDL Number: MFCD03422878
• PubChem SID: 162061363
• PubChem CID: 46779498

CALCULATED PROPERTIES

• Log P: 5.1570125
• Molar Refractivity: 98.6306 cm^3
• Polarizability: 40.301872 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.157008
• LogD (pH = 7.4): 5.157012

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false