4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-6-methyl-1,2-dihydroquinolin-2-one

• ChemBase ID: 526803
• Molecular Formular: C17H16N4O2
• Molecular Mass: 308.33454
• Monoisotopic Mass: 308.12732577
• SMILES: c1(C(=O)N2Cc3n(cnc3)CC2)c2c([nH]c(=O)c1)ccc(c2)C
• Canonical SMILES: Cc1ccc2c(c1)c(cc(=O)[nH]2)C(=O)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C17H16N4O2/c1-11-2-3-15-13(6-11)14(7-16(22)19-15)17(23)20-4-5-21-10-18-8-12(21)9-20/h2-3,6-8,10H,4-5,9H2,1H3,(H,19,22)
• InChIKey: MUOFAXPIQALAES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-6-methyl-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 4-{5H,6H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-6-methyl-1H-quinolin-2-one
• Synonyms: 4-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-ylcarbonyl)-6-methylquinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.629063
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.34711298
• LogD (pH = 7.4): 0.788408
• Log P: 0.8202158
• Molar Refractivity: 88.3078 cm^3
• Polarizability: 32.17042 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.0
• LOG S: -2.76
• Polar Surface Area: 70.99 Å^2
• Rotatable Bonds: 1