1'-(quinoxaline-5-carbonyl)-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one

• ChemBase ID: 315976
• Molecular Formular: C21H18N4O2
• Molecular Mass: 358.39322
• Monoisotopic Mass: 358.14297584
• SMILES: C12(C(=O)Nc3c1cccc3)CCN(C(=O)c1c3nccnc3ccc1)CC2
• Canonical SMILES: O=C1Nc2c(C31CCN(CC3)C(=O)c1cccc3c1nccn3)cccc2
• InChI: InChI=1S/C21H18N4O2/c26-19(14-4-3-7-17-18(14)23-11-10-22-17)25-12-8-21(9-13-25)15-5-1-2-6-16(15)24-20(21)27/h1-7,10-11H,8-9,12-13H2,(H,24,27)
• InChIKey: QJXUISCXTTWQDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-(quinoxaline-5-carbonyl)-1,2-dihydrospiro[indole-3,4'-piperidine]-2-one
• IUPAC Traditional name: 1'-(quinoxaline-5-carbonyl)-1H-spiro[indole-3,4'-piperidine]-2-one
• Synonyms: 1'-(quinoxalin-5-ylcarbonyl)spiro[indole-3,4'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.236344
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.8210521
• LogD (pH = 7.4): 1.8210552
• Log P: 1.8210558
• Molar Refractivity: 101.5194 cm^3
• Polarizability: 39.27146 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: 0.38
• LOG S: -2.14
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 1