4-(2-methoxyquinolin-3-yl)pyridin-3-amine

• ChemBase ID: 603943
• Molecular Formular: C15H13N3O
• Molecular Mass: 251.28322
• Monoisotopic Mass: 251.10586205
• SMILES: c1(c(nc2c(c1)cccc2)OC)c1c(N)cncc1
• Canonical SMILES: COc1nc2ccccc2cc1c1ccncc1N
• InChI: InChI=1S/C15H13N3O/c1-19-15-12(11-6-7-17-9-13(11)16)8-10-4-2-3-5-14(10)18-15/h2-9H,16H2,1H3
• InChIKey: ZVTIQAHCCHWBCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyquinolin-3-yl)pyridin-3-amine
• IUPAC Traditional name: 4-(2-methoxyquinolin-3-yl)pyridin-3-amine
• Synonyms: 4-(2-methoxyquinolin-3-yl)pyridin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0816102
• LogD (pH = 7.4): 2.1670763
• Log P: 2.1683137
• Molar Refractivity: 74.4357 cm^3
• Polarizability: 30.75171 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: 1.8
• LOG S: -2.57
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2