N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetamide

• ChemBase ID: 493541
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: n1(c(=O)c(nc2c1cccc2)C)CC(=O)N(Cc1cn(nc1)CC)CC
• Canonical SMILES: CCN(C(=O)Cn1c(=O)c(C)nc2c1cccc2)Cc1cnn(c1)CC
• InChI: InChI=1S/C19H23N5O2/c1-4-22(11-15-10-20-23(5-2)12-15)18(25)13-24-17-9-7-6-8-16(17)21-14(3)19(24)26/h6-10,12H,4-5,11,13H2,1-3H3
• InChIKey: WIQVKDBPJKMXJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetamide
• IUPAC Traditional name: N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
• Synonyms: N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methyl-2-oxoquinoxalin-1(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.222555
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.077272
• LogD (pH = 7.4): 1.0773621
• Log P: 1.0773633
• Molar Refractivity: 112.7839 cm^3
• Polarizability: 37.455357 Å^3
• Polar Surface Area: 70.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.54
• LOG S: -2.24
• Polar Surface Area: 73.02 Å^2
• Rotatable Bonds: 6