2-methyl-7-[phenyl(phenylamino)methyl]quinolin-8-ol

• ChemBase ID: 313022
• Molecular Formular: C23H20N2O
• Molecular Mass: 340.4177
• Monoisotopic Mass: 340.15756327
• SMILES: c1ccc(cc1)NC(c1ccccc1)c1ccc2c(c1O)nc(cc2)C
• Canonical SMILES: Cc1ccc2c(n1)c(O)c(cc2)C(c1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C23H20N2O/c1-16-12-13-18-14-15-20(23(26)22(18)24-16)21(17-8-4-2-5-9-17)25-19-10-6-3-7-11-19/h2-15,21,25-26H,1H3
• InChIKey: WEENRMPCSWFMTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-7-[phenyl(phenylamino)methyl]quinolin-8-ol
• IUPAC Traditional name: 2-methyl-7-[phenyl(phenylamino)methyl]quinolin-8-ol
• Synonyms: NSC-66811

Database IDs

• CAS Number: 6964-62-1

CALCULATED PROPERTIES

• Acid pKa: 8.55108
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.8055215
• LogD (pH = 7.4): 4.9016995
• Log P: 4.9401965
• Molar Refractivity: 105.6409 cm^3
• Polarizability: 41.595978 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Mdm2

Product Information

• Salt Data: Free Base