7-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one

• ChemBase ID: 329166
• Molecular Formular: C19H22N6O2
• Molecular Mass: 366.41698
• Monoisotopic Mass: 366.18042397
• SMILES: c1(N2CCN(C(=O)c3cc4NC(=O)CNc4cc3)CC2)nc(cnc1C)C
• Canonical SMILES: O=C1CNc2c(N1)cc(cc2)C(=O)N1CCN(CC1)c1nc(C)cnc1C
• InChI: InChI=1S/C19H22N6O2/c1-12-10-20-13(2)18(22-12)24-5-7-25(8-6-24)19(27)14-3-4-15-16(9-14)23-17(26)11-21-15/h3-4,9-10,21H,5-8,11H2,1-2H3,(H,23,26)
• InChIKey: ILROTROAOUMVBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinoxalin-2-one
• IUPAC Traditional name: 7-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
• Synonyms: 7-{[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]carbonyl}-3,4-dihydroquinoxalin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.866839
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.15741614
• LogD (pH = 7.4): -0.15685996
• Log P: -0.15685144
• Molar Refractivity: 105.1588 cm^3
• Polarizability: 37.59732 Å^3
• Polar Surface Area: 90.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.06
• LOG S: -3.13
• Polar Surface Area: 90.46 Å^2
• Rotatable Bonds: 2