(3R)-N-(2,3-dimethylquinoxalin-6-yl)-3-hydroxypyrrolidine-1-carboxamide

• ChemBase ID: 731202
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: C(=O)(N1C[C@@H](CC1)O)Nc1cc2nc(c(nc2cc1)C)C
• Canonical SMILES: O[C@@H]1CCN(C1)C(=O)Nc1ccc2c(c1)nc(c(n2)C)C
• InChI: InChI=1S/C15H18N4O2/c1-9-10(2)17-14-7-11(3-4-13(14)16-9)18-15(21)19-6-5-12(20)8-19/h3-4,7,12,20H,5-6,8H2,1-2H3,(H,18,21)/t12-/m1/s1
• InChIKey: PXCIWCPREQXUMO-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-N-(2,3-dimethylquinoxalin-6-yl)-3-hydroxypyrrolidine-1-carboxamide
• IUPAC Traditional name: (3R)-N-(2,3-dimethylquinoxalin-6-yl)-3-hydroxypyrrolidine-1-carboxamide
• Synonyms: (3R)-N-(2,3-dimethylquinoxalin-6-yl)-3-hydroxypyrrolidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.102098
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.17120752
• LogD (pH = 7.4): 0.17143184
• Log P: 0.17143552
• Molar Refractivity: 78.8254 cm^3
• Polarizability: 31.008911 Å^3
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.73
• LOG S: -1.91
• Polar Surface Area: 78.35 Å^2
• Rotatable Bonds: 1