7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carbonyl chloride

• ChemBase ID: 56580
• Molecular Formular: C19H15Cl2NO
• Molecular Mass: 344.2345
• Monoisotopic Mass: 343.05306947
• SMILES: c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1ccc(cc1)CC
• Canonical SMILES: CCc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl
• InChI: InChI=1S/C19H15Cl2NO/c1-3-12-4-6-13(7-5-12)17-10-15(19(21)23)14-8-9-16(20)11(2)18(14)22-17/h4-10H,3H2,1-2H3
• InChIKey: WATWZMURFMACMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03422858
• PubChem SID: 162061343
• PubChem CID: 46779478

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.4303403
• LogD (pH = 7.4): 6.4303446
• Log P: 6.430345
• Molar Refractivity: 95.3464 cm^3
• Polarizability: 38.899208 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false