5-(5,6-dimethylpyrazin-2-yl)-2-methylquinoline

• ChemBase ID: 733854
• Molecular Formular: C16H15N3
• Molecular Mass: 249.3104
• Monoisotopic Mass: 249.1265975
• SMILES: n1c(c2c3c(nc(cc3)C)ccc2)cnc(c1C)C
• Canonical SMILES: Cc1ccc2c(n1)cccc2c1cnc(c(n1)C)C
• InChI: InChI=1S/C16H15N3/c1-10-7-8-14-13(5-4-6-15(14)18-10)16-9-17-11(2)12(3)19-16/h4-9H,1-3H3
• InChIKey: ODTIKBKOKDOSAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5,6-dimethylpyrazin-2-yl)-2-methylquinoline
• IUPAC Traditional name: 5-(5,6-dimethylpyrazin-2-yl)-2-methylquinoline
• Synonyms: 5-(5,6-dimethylpyrazin-2-yl)-2-methylquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0310228
• LogD (pH = 7.4): 2.1214533
• Log P: 2.1227417
• Molar Refractivity: 74.2042 cm^3
• Polarizability: 31.545628 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.07
• LOG S: -3.64
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 1