7-methyl-2-(quinoline-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 825084
• Molecular Formular: C19H21N3O2
• Molecular Mass: 323.38894
• Monoisotopic Mass: 323.16337693
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)c2nc3c(cc2)cccc3)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)C(=O)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C19H21N3O2/c1-21-11-4-9-19(18(21)24)10-12-22(13-19)17(23)16-8-7-14-5-2-3-6-15(14)20-16/h2-3,5-8H,4,9-13H2,1H3
• InChIKey: IJTXJOIMDFHKLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-(quinoline-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-(quinoline-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-methyl-2-(2-quinolinylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7666479
• LogD (pH = 7.4): 1.7666522
• Log P: 1.7666522
• Molar Refractivity: 91.092 cm^3
• Polarizability: 36.106247 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.18
• LOG S: -2.94
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 1