6-(4-methoxyphenyl)-9-(quinoxaline-6-carbonyl)-6,9-diazaspiro[4.5]decan-7-one

• ChemBase ID: 523420
• Molecular Formular: C24H24N4O3
• Molecular Mass: 416.47236
• Monoisotopic Mass: 416.18484065
• SMILES: N1(C(=O)c2cc3nccnc3cc2)CC(=O)N(C2(C1)CCCC2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)N1C(=O)CN(CC21CCCC2)C(=O)c1ccc2c(c1)nccn2
• InChI: InChI=1S/C24H24N4O3/c1-31-19-7-5-18(6-8-19)28-22(29)15-27(16-24(28)10-2-3-11-24)23(30)17-4-9-20-21(14-17)26-13-12-25-20/h4-9,12-14H,2-3,10-11,15-16H2,1H3
• InChIKey: ASAFDJOTTCBLSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methoxyphenyl)-9-(quinoxaline-6-carbonyl)-6,9-diazaspiro[4.5]decan-7-one
• IUPAC Traditional name: 6-(4-methoxyphenyl)-9-(quinoxaline-6-carbonyl)-6,9-diazaspiro[4.5]decan-7-one
• Synonyms: 6-(4-methoxyphenyl)-9-(6-quinoxalinylcarbonyl)-6,9-diazaspiro[4.5]decan-7-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -3.57
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 2
• H Acceptors: 5
• H Donor: 0
• Log P: 3.96

JChem

• Molar Refractivity: 114.597 cm^3
• Polarizability: 45.46922 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 14.249262
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.322679
• LogD (pH = 7.4): 2.3226962
• Log P: 2.3226964