N-(2,3-dimethylquinoxalin-6-yl)-2-(morpholin-3-yl)acetamide

• ChemBase ID: 595932
• Molecular Formular: C16H20N4O2
• Molecular Mass: 300.3556
• Monoisotopic Mass: 300.1586259
• SMILES: n1c2c(nc(c1C)C)ccc(c2)NC(=O)CC1NCCOC1
• Canonical SMILES: O=C(Nc1ccc2c(c1)nc(c(n2)C)C)CC1COCCN1
• InChI: InChI=1S/C16H20N4O2/c1-10-11(2)19-15-7-12(3-4-14(15)18-10)20-16(21)8-13-9-22-6-5-17-13/h3-4,7,13,17H,5-6,8-9H2,1-2H3,(H,20,21)
• InChIKey: DJZCYLATGGVIFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dimethylquinoxalin-6-yl)-2-(morpholin-3-yl)acetamide
• IUPAC Traditional name: N-(2,3-dimethylquinoxalin-6-yl)-2-(morpholin-3-yl)acetamide
• Synonyms: N-(2,3-dimethyl-6-quinoxalinyl)-2-(3-morpholinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.792989
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.9024659
• LogD (pH = 7.4): -0.18572983
• Log P: 0.386259
• Molar Refractivity: 83.0748 cm^3
• Polarizability: 33.314026 Å^3
• Polar Surface Area: 76.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.94
• LOG S: -2.19
• Polar Surface Area: 76.14 Å^2
• Rotatable Bonds: 3