5-(7-methoxy-4-methylquinolin-2-yl)pyridin-3-amine

• ChemBase ID: 477227
• Molecular Formular: C16H15N3O
• Molecular Mass: 265.3098
• Monoisotopic Mass: 265.12151212
• SMILES: n1c2c(c(cc1c1cc(N)cnc1)C)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)nc(cc2C)c1cncc(c1)N
• InChI: InChI=1S/C16H15N3O/c1-10-5-15(11-6-12(17)9-18-8-11)19-16-7-13(20-2)3-4-14(10)16/h3-9H,17H2,1-2H3
• InChIKey: QCBMSSLANJLRFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(7-methoxy-4-methylquinolin-2-yl)pyridin-3-amine
• IUPAC Traditional name: 5-(7-methoxy-4-methylquinolin-2-yl)pyridin-3-amine
• Synonyms: 5-(7-methoxy-4-methylquinolin-2-yl)pyridin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3560207
• LogD (pH = 7.4): 2.4714355
• Log P: 2.4731278
• Molar Refractivity: 78.7914 cm^3
• Polarizability: 32.511448 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: 2.3
• LOG S: -3.1
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2