N-(2,3-dimethylquinoxalin-6-yl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 778278
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: C(=O)(N1CCC2(OCC(C2)O)CC1)Nc1cc2nc(c(nc2cc1)C)C
• Canonical SMILES: OC1COC2(C1)CCN(CC2)C(=O)Nc1ccc2c(c1)nc(c(n2)C)C
• InChI: InChI=1S/C19H24N4O3/c1-12-13(2)21-17-9-14(3-4-16(17)20-12)22-18(25)23-7-5-19(6-8-23)10-15(24)11-26-19/h3-4,9,15,24H,5-8,10-11H2,1-2H3,(H,22,25)
• InChIKey: RVQAOGANICWSNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dimethylquinoxalin-6-yl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: N-(2,3-dimethylquinoxalin-6-yl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
• Synonyms: N-(2,3-dimethylquinoxalin-6-yl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.100606
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.056162275
• LogD (pH = 7.4): 0.056386642
• Log P: 0.056390338
• Molar Refractivity: 97.1905 cm^3
• Polarizability: 38.3436 Å^3
• Polar Surface Area: 87.58 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.33
• LOG S: -2.94
• Polar Surface Area: 87.58 Å^2
• Rotatable Bonds: 1