2,4-dichloro-7-methyl-3-phenylquinoline

• ChemBase ID: 84667
• Molecular Formular: C16H11Cl2N
• Molecular Mass: 288.17124
• Monoisotopic Mass: 287.02685472
• SMILES: n1c(c(c(c2c1cc(cc2)C)Cl)c1ccccc1)Cl
• Canonical SMILES: Cc1ccc2c(c1)nc(c(c2Cl)c1ccccc1)Cl
• InChI: InChI=1S/C16H11Cl2N/c1-10-7-8-12-13(9-10)19-16(18)14(15(12)17)11-5-3-2-4-6-11/h2-9H,1H3
• InChIKey: SRURYVBDSYIIQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-7-methyl-3-phenylquinoline
• IUPAC Traditional name: 2,4-dichloro-7-methyl-3-phenylquinoline
• Synonyms: 2,4-dichloro-7-methyl-3-phenylquinoline

Database IDs

• MDL Number: MFCD00662360
• PubChem SID: 162071783
• PubChem CID: 2782363

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.719813
• LogD (pH = 7.4): 5.719814
• Log P: 5.719814
• Molar Refractivity: 80.8276 cm^3
• Polarizability: 33.53373 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false