7-methyl-2-(3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 338069
• Molecular Formular: C18H22N4O3
• Molecular Mass: 342.39228
• Monoisotopic Mass: 342.16919058
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)c2cc3NC(=O)CNc3cc2)CC1
• Canonical SMILES: O=C1CNc2c(N1)cc(cc2)C(=O)N1CCC2(C1)CCCN(C2=O)C
• InChI: InChI=1S/C18H22N4O3/c1-21-7-2-5-18(17(21)25)6-8-22(11-18)16(24)12-3-4-13-14(9-12)20-15(23)10-19-13/h3-4,9,19H,2,5-8,10-11H2,1H3,(H,20,23)
• InChIKey: FAUXOTJJAPJBKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-(3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-(3-oxo-2,4-dihydro-1H-quinoxaline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-[(7-methyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.867001
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.3650437
• LogD (pH = 7.4): -0.3650366
• Log P: -0.3650352
• Molar Refractivity: 96.0404 cm^3
• Polarizability: 34.82652 Å^3
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.62
• LOG S: -2.48
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 1