2-chloro-6,8-dimethoxy-4-methylquinoline

• ChemBase ID: 310547
• Molecular Formular: C12H12ClNO2
• Molecular Mass: 237.68218
• Monoisotopic Mass: 237.05565631
• SMILES: c12c(c(cc(n1)Cl)C)cc(cc2OC)OC
• Canonical SMILES: COc1cc(OC)cc2c1nc(Cl)cc2C
• InChI: InChI=1S/C12H12ClNO2/c1-7-4-11(13)14-12-9(7)5-8(15-2)6-10(12)16-3/h4-6H,1-3H3
• InChIKey: FTTISRVTEBJLDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6,8-dimethoxy-4-methylquinoline
• IUPAC Traditional name: 2-chloro-6,8-dimethoxy-4-methylquinoline
• Synonyms: 2-chloro-6,8-dimethoxy-4-methylquinoline

Database IDs

• CAS Number: 938459-20-2
• MDL Number: MFCD09055413

CALCULATED PROPERTIES

• LogD (pH = 5.5): 3.1532004
• LogD (pH = 7.4): 3.153201
• Log P: 3.153201
• Molar Refractivity: 63.813 cm^3
• Polarizability: 25.658606 Å^3
• Polar Surface Area: 31.35 Å^2
• H Acceptors: 3
• H Donor: 0