2-(oxolan-2-ylmethyl)-8-(quinoline-6-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 447257
• Molecular Formular: C23H27N3O3
• Molecular Mass: 393.47878
• Monoisotopic Mass: 393.20524174
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)c1cc3c(nccc3)cc1)CC2)CC1OCCC1
• Canonical SMILES: O=C1CC2(CN1CC1CCCO1)CCN(CC2)C(=O)c1ccc2c(c1)cccn2
• InChI: InChI=1S/C23H27N3O3/c27-21-14-23(16-26(21)15-19-4-2-12-29-19)7-10-25(11-8-23)22(28)18-5-6-20-17(13-18)3-1-9-24-20/h1,3,5-6,9,13,19H,2,4,7-8,10-12,14-16H2
• InChIKey: FPQSFHQGIFZRFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-2-ylmethyl)-8-(quinoline-6-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-(oxolan-2-ylmethyl)-8-(quinoline-6-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(6-quinolinylcarbonyl)-2-(tetrahydro-2-furanylmethyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2741824
• LogD (pH = 7.4): 1.2872866
• Log P: 1.2874566
• Molar Refractivity: 109.6669 cm^3
• Polarizability: 43.42707 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.33
• LOG S: -3.66
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 3