2-(2-methoxyphenyl)-7,8-dimethylquinoline-4-carbonyl chloride

• ChemBase ID: 57138
• Molecular Formular: C19H16ClNO2
• Molecular Mass: 325.78884
• Monoisotopic Mass: 325.08695644
• SMILES: c1c(c(c2c(c1)c(cc(n2)c1ccccc1OC)C(=O)Cl)C)C
• Canonical SMILES: COc1ccccc1c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)C
• InChI: InChI=1S/C19H16ClNO2/c1-11-8-9-13-15(19(20)22)10-16(21-18(13)12(11)2)14-6-4-5-7-17(14)23-3/h4-10H,1-3H3
• InChIKey: FRVDGGMKZJGXRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)-7,8-dimethylquinoline-4-carbonyl chloride
• IUPAC Traditional name: 2-(2-methoxyphenyl)-7,8-dimethylquinoline-4-carbonyl chloride
• Synonyms: 2-(2-Methoxyphenyl)-7,8-dimethylquinoline-4-carbonyl chloride

Database IDs

• MDL Number: MFCD12198071
• PubChem SID: 162061901
• PubChem CID: 46779820

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2240477
• LogD (pH = 7.4): 5.22406
• Log P: 5.22406
• Molar Refractivity: 92.4038 cm^3
• Polarizability: 37.729565 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false