N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide

• ChemBase ID: 569243
• Molecular Formular: C19H14N4O
• Molecular Mass: 314.34066
• Monoisotopic Mass: 314.11676109
• SMILES: c1(NC(=O)c2cc3nccnc3cc2)c2c(nc(c1)C)cccc2
• Canonical SMILES: Cc1cc(NC(=O)c2ccc3c(c2)nccn3)c2c(n1)cccc2
• InChI: InChI=1S/C19H14N4O/c1-12-10-17(14-4-2-3-5-15(14)22-12)23-19(24)13-6-7-16-18(11-13)21-9-8-20-16/h2-11H,1H3,(H,22,23,24)
• InChIKey: DWOHRLJYNOJUEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
• IUPAC Traditional name: N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
• Synonyms: N-(2-methyl-4-quinolinyl)-6-quinoxalinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.126936
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.272922
• LogD (pH = 7.4): 2.6713512
• Log P: 2.679988
• Molar Refractivity: 91.4967 cm^3
• Polarizability: 37.113155 Å^3
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.27
• LOG S: -5.39
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 2