6-{1-oxa-7-azaspiro[3.5]nonane-7-carbonyl}quinoxaline

• ChemBase ID: 531632
• Molecular Formular: C16H17N3O2
• Molecular Mass: 283.32508
• Monoisotopic Mass: 283.1320768
• SMILES: C(=O)(N1CCC2(OCC2)CC1)c1cc2nccnc2cc1
• Canonical SMILES: O=C(c1ccc2c(c1)nccn2)N1CCC2(CC1)CCO2
• InChI: InChI=1S/C16H17N3O2/c20-15(19-8-3-16(4-9-19)5-10-21-16)12-1-2-13-14(11-12)18-7-6-17-13/h1-2,6-7,11H,3-5,8-10H2
• InChIKey: BNLDOPXDTIMIGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{1-oxa-7-azaspiro[3.5]nonane-7-carbonyl}quinoxaline
• IUPAC Traditional name: 6-{1-oxa-7-azaspiro[3.5]nonane-7-carbonyl}quinoxaline
• Synonyms: 6-(1-oxa-7-azaspiro[3.5]non-7-ylcarbonyl)quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.37044287
• LogD (pH = 7.4): 0.37046018
• Log P: 0.3704604
• Molar Refractivity: 77.5837 cm^3
• Polarizability: 31.012003 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.38
• LOG S: -2.25
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 1