7-methyl-2-[(3-methylquinoxalin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 834295
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: C12(C(=O)N(CCC2)C)CN(Cc2nc3c(nc2C)cccc3)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)Cc1nc2ccccc2nc1C
• InChI: InChI=1S/C19H24N4O/c1-14-17(21-16-7-4-3-6-15(16)20-14)12-23-11-9-19(13-23)8-5-10-22(2)18(19)24/h3-4,6-7H,5,8-13H2,1-2H3
• InChIKey: NQDJKTNVGUDCRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-[(3-methylquinoxalin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-[(3-methylquinoxalin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2-[(3-methylquinoxalin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5528544
• LogD (pH = 7.4): 0.17704733
• Log P: 1.4052262
• Molar Refractivity: 92.6753 cm^3
• Polarizability: 37.522957 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.41
• LOG S: -2.77
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2