2,4,7,8-tetrachloro-3-phenylquinoline

• ChemBase ID: 83600
• Molecular Formular: C15H7Cl4N
• Molecular Mass: 343.03478
• Monoisotopic Mass: 340.93325995
• SMILES: n1c(c(c(c2ccc(c(c12)Cl)Cl)Cl)c1ccccc1)Cl
• Canonical SMILES: Clc1nc2c(c(c1c1ccccc1)Cl)ccc(c2Cl)Cl
• InChI: InChI=1S/C15H7Cl4N/c16-10-7-6-9-12(17)11(8-4-2-1-3-5-8)15(19)20-14(9)13(10)18/h1-7H
• InChIKey: WHRBYXWSNKQJNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,7,8-tetrachloro-3-phenylquinoline
• IUPAC Traditional name: 2,4,7,8-tetrachloro-3-phenylquinoline
• Synonyms: 2,4,7,8-tetrachloro-3-phenylquinoline

Database IDs

• MDL Number: MFCD00101112
• PubChem SID: 162070717
• PubChem CID: 2780583

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.4144816
• LogD (pH = 7.4): 6.4144816
• Log P: 6.4144816
• Molar Refractivity: 85.396 cm^3
• Polarizability: 35.492725 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false