4-(2,4-dioxoimidazolidin-1-yl)-N-methyl-N-(quinoxalin-2-ylmethyl)benzamide

• ChemBase ID: 820587
• Molecular Formular: C20H17N5O3
• Molecular Mass: 375.38068
• Monoisotopic Mass: 375.13313943
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)N(Cc2nc3c(nc2)cccc3)C)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)N(Cc1cnc2c(n1)cccc2)C
• InChI: InChI=1S/C20H17N5O3/c1-24(11-14-10-21-16-4-2-3-5-17(16)22-14)19(27)13-6-8-15(9-7-13)25-12-18(26)23-20(25)28/h2-10H,11-12H2,1H3,(H,23,26,28)
• InChIKey: XJTZAXGKJSWVLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-methyl-N-(quinoxalin-2-ylmethyl)benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-methyl-N-(quinoxalin-2-ylmethyl)benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-methyl-N-(2-quinoxalinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064493
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.8610383
• LogD (pH = 7.4): 0.8519877
• Log P: 0.86118406
• Molar Refractivity: 100.075 cm^3
• Polarizability: 39.365112 Å^3
• Polar Surface Area: 95.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.32
• LOG S: -2.97
• Polar Surface Area: 95.5 Å^2
• Rotatable Bonds: 4