5-(8-methoxyquinolin-5-yl)pyridin-3-amine

• ChemBase ID: 598382
• Molecular Formular: C15H13N3O
• Molecular Mass: 251.28322
• Monoisotopic Mass: 251.10586205
• SMILES: c1(c2c(nccc2)c(cc1)OC)c1cc(N)cnc1
• Canonical SMILES: COc1ccc(c2c1nccc2)c1cncc(c1)N
• InChI: InChI=1S/C15H13N3O/c1-19-14-5-4-12(10-7-11(16)9-17-8-10)13-3-2-6-18-15(13)14/h2-9H,16H2,1H3
• InChIKey: UCLFKRFEPKRJRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(8-methoxyquinolin-5-yl)pyridin-3-amine
• IUPAC Traditional name: 5-(8-methoxyquinolin-5-yl)pyridin-3-amine
• Synonyms: 5-(8-methoxyquinolin-5-yl)pyridin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3910531
• LogD (pH = 7.4): 1.5708294
• Log P: 1.5738562
• Molar Refractivity: 74.1222 cm^3
• Polarizability: 30.753012 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: 1.18
• LOG S: -2.04
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2