8-(3-aminophenyl)-2-methylquinolin-4-ol

• ChemBase ID: 700211
• Molecular Formular: C16H14N2O
• Molecular Mass: 250.29516
• Monoisotopic Mass: 250.11061308
• SMILES: c12c(c(cc(n1)C)O)cccc2c1cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)c1cccc2c1nc(C)cc2O
• InChI: InChI=1S/C16H14N2O/c1-10-8-15(19)14-7-3-6-13(16(14)18-10)11-4-2-5-12(17)9-11/h2-9H,17H2,1H3,(H,18,19)
• InChIKey: QKIQTWYNNCBKGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(3-aminophenyl)-2-methylquinolin-4-ol
• IUPAC Traditional name: 8-(3-aminophenyl)-2-methylquinolin-4-ol
• Synonyms: 8-(3-aminophenyl)-2-methylquinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.723928
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7614481
• LogD (pH = 7.4): 2.7766092
• Log P: 2.7770047
• Molar Refractivity: 76.3883 cm^3
• Polarizability: 31.546465 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.34
• LOG S: -3.02
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 1