5-(8-methoxyquinolin-2-yl)pyridin-2-amine

• ChemBase ID: 430111
• Molecular Formular: C15H13N3O
• Molecular Mass: 251.28322
• Monoisotopic Mass: 251.10586205
• SMILES: n1c2c(OC)cccc2ccc1c1cnc(N)cc1
• Canonical SMILES: COc1cccc2c1nc(cc2)c1ccc(nc1)N
• InChI: InChI=1S/C15H13N3O/c1-19-13-4-2-3-10-5-7-12(18-15(10)13)11-6-8-14(16)17-9-11/h2-9H,1H3,(H2,16,17)
• InChIKey: KBEKVFJPOKZYLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(8-methoxyquinolin-2-yl)pyridin-2-amine
• IUPAC Traditional name: 5-(8-methoxyquinolin-2-yl)pyridin-2-amine
• Synonyms: 5-(8-methoxyquinolin-2-yl)pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0184436
• LogD (pH = 7.4): 2.539936
• Log P: 2.554164
• Molar Refractivity: 74.0637 cm^3
• Polarizability: 30.749804 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.33
• LOG S: -3.02
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2