4-(8-methylquinolin-5-yl)pyridin-3-amine

• ChemBase ID: 534949
• Molecular Formular: C15H13N3
• Molecular Mass: 235.28382
• Monoisotopic Mass: 235.11094743
• SMILES: c1(c2c(nccc2)c(cc1)C)c1c(N)cncc1
• Canonical SMILES: Nc1cnccc1c1ccc(c2c1cccn2)C
• InChI: InChI=1S/C15H13N3/c1-10-4-5-11(12-6-8-17-9-14(12)16)13-3-2-7-18-15(10)13/h2-9H,16H2,1H3
• InChIKey: CGLASFDULHSUHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(8-methylquinolin-5-yl)pyridin-3-amine
• IUPAC Traditional name: 4-(8-methylquinolin-5-yl)pyridin-3-amine
• Synonyms: 4-(8-methylquinolin-5-yl)pyridin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9485384
• LogD (pH = 7.4): 2.2393644
• Log P: 2.2449489
• Molar Refractivity: 72.7002 cm^3
• Polarizability: 30.064741 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.16
• LOG S: -2.76
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1