6-methyl-2-(2-methylphenyl)quinoline-4-carbonyl chloride

• ChemBase ID: 56378
• Molecular Formular: C18H14ClNO
• Molecular Mass: 295.76286
• Monoisotopic Mass: 295.07639175
• SMILES: c1(nc2c(c(c1)C(=O)Cl)cc(cc2)C)c1c(C)cccc1
• Canonical SMILES: Cc1ccc2c(c1)c(cc(n2)c1ccccc1C)C(=O)Cl
• InChI: InChI=1S/C18H14ClNO/c1-11-7-8-16-14(9-11)15(18(19)21)10-17(20-16)13-6-4-3-5-12(13)2/h3-10H,1-2H3
• InChIKey: QOACHBGLULUVFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(2-methylphenyl)quinoline-4-carbonyl chloride
• IUPAC Traditional name: 6-methyl-2-(2-methylphenyl)quinoline-4-carbonyl chloride
• Synonyms: 6-Methyl-2-(2-methylphenyl)quinoline-4-carbonyl chloride

Database IDs

• MDL Number: MFCD03421139
• PubChem SID: 162061141
• PubChem CID: 46779282

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.3817105
• LogD (pH = 7.4): 5.381731
• Log P: 5.3817315
• Molar Refractivity: 85.9406 cm^3
• Polarizability: 35.248432 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