4-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol

• ChemBase ID: 191055
• Molecular Formular: C17H16N2O2
• Molecular Mass: 280.32114
• Monoisotopic Mass: 280.12117776
• SMILES: c1(c2c(nc(c1)C)ccc(c2)OC)Nc1ccc(cc1)O
• Canonical SMILES: COc1ccc2c(c1)c(Nc1ccc(cc1)O)cc(n2)C
• InChI: InChI=1S/C17H16N2O2/c1-11-9-17(19-12-3-5-13(20)6-4-12)15-10-14(21-2)7-8-16(15)18-11/h3-10,20H,1-2H3,(H,18,19)
• InChIKey: AZEFJXIVYWAMHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol
• IUPAC Traditional name: 4-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol

Database IDs

• PubChem SID: 164246965
• PubChem CID: 696496

CALCULATED PROPERTIES

• Acid pKa: 10.465168
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.503923
• LogD (pH = 7.4): 2.529818
• Log P: 3.24096
• Molar Refractivity: 81.5011 cm^3
• Polarizability: 32.577885 Å^3
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds