7-(quinoxalin-2-yl)-2,7-diazaspiro[4.4]nonane-1,3-dione

• ChemBase ID: 794863
• Molecular Formular: C15H14N4O2
• Molecular Mass: 282.29726
• Monoisotopic Mass: 282.11167571
• SMILES: C12(C(=O)NC(=O)C1)CN(c1nc3c(nc1)cccc3)CC2
• Canonical SMILES: O=C1NC(=O)C2(C1)CCN(C2)c1cnc2c(n1)cccc2
• InChI: InChI=1S/C15H14N4O2/c20-13-7-15(14(21)18-13)5-6-19(9-15)12-8-16-10-3-1-2-4-11(10)17-12/h1-4,8H,5-7,9H2,(H,18,20,21)
• InChIKey: ZAEPLRQLAJFOQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(quinoxalin-2-yl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• IUPAC Traditional name: 7-(quinoxalin-2-yl)-2,7-diazaspiro[4.4]nonane-1,3-dione
• Synonyms: 7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonane-1,3-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.110269
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.8704986
• LogD (pH = 7.4): 0.870535
• Log P: 0.8713818
• Molar Refractivity: 75.3312 cm^3
• Polarizability: 29.904705 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.35
• LOG S: -2.31
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 1