N-[3-(oxolan-3-yl)propyl]quinoxaline-6-carboxamide

• ChemBase ID: 716984
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: C(=O)(c1cc2nccnc2cc1)NCCCC1COCC1
• Canonical SMILES: O=C(c1ccc2c(c1)nccn2)NCCCC1COCC1
• InChI: InChI=1S/C16H19N3O2/c20-16(19-6-1-2-12-5-9-21-11-12)13-3-4-14-15(10-13)18-8-7-17-14/h3-4,7-8,10,12H,1-2,5-6,9,11H2,(H,19,20)
• InChIKey: GOGAQKIFGKJFNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(oxolan-3-yl)propyl]quinoxaline-6-carboxamide
• IUPAC Traditional name: N-[3-(oxolan-3-yl)propyl]quinoxaline-6-carboxamide
• Synonyms: N-[3-(tetrahydro-3-furanyl)propyl]-6-quinoxalinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.810227
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2397323
• LogD (pH = 7.4): 1.23975
• Log P: 1.2397503
• Molar Refractivity: 79.32 cm^3
• Polarizability: 31.74165 Å^3
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.57
• LOG S: -3.61
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 5