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

• ChemBase ID: 683851
• Molecular Formular: C15H13N3
• Molecular Mass: 235.28382
• Monoisotopic Mass: 235.11094743
• SMILES: c1(c2c(nccc2)c(cc1)C)c1cnc(N)cc1
• Canonical SMILES: Nc1ccc(cn1)c1ccc(c2c1cccn2)C
• InChI: InChI=1S/C15H13N3/c1-10-4-6-12(11-5-7-14(16)18-9-11)13-3-2-8-17-15(10)13/h2-9H,1H3,(H2,16,18)
• InChIKey: GASOADIPWFJBRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0281737
• LogD (pH = 7.4): 2.8071902
• Log P: 2.8394065
• Molar Refractivity: 73.0137 cm^3
• Polarizability: 30.062769 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: 2.59
• LOG S: -3.13
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1