7-chloro-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride

• ChemBase ID: 56624
• Molecular Formular: C19H15Cl2NO
• Molecular Mass: 344.2345
• Monoisotopic Mass: 343.05306947
• SMILES: c12nc(c(c(c1ccc(c2C)Cl)C(=O)Cl)C)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)c1nc2c(C)c(Cl)ccc2c(c1C)C(=O)Cl
• InChI: InChI=1S/C19H15Cl2NO/c1-10-4-6-13(7-5-10)17-12(3)16(19(21)23)14-8-9-15(20)11(2)18(14)22-17/h4-9H,1-3H3
• InChIKey: NQAQZEKCJDXLFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride
• IUPAC Traditional name: 7-chloro-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride
• Synonyms: 7-Chloro-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carbonyl chloride

Database IDs

• MDL Number: MFCD03422902
• PubChem SID: 162061387
• PubChem CID: 46779522

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.4991856
• LogD (pH = 7.4): 6.4991975
• Log P: 6.4991975
• Molar Refractivity: 95.7866 cm^3
• Polarizability: 38.81905 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false