(5-{[8-(2-methylquinolin-4-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl}furan-2-yl)methanol

• ChemBase ID: 560944
• Molecular Formular: C24H29N3O2
• Molecular Mass: 391.50596
• Monoisotopic Mass: 391.22597718
• SMILES: c1(N2CCC3(N(Cc4oc(cc4)CO)CCC3)CC2)c2c(nc(c1)C)cccc2
• Canonical SMILES: OCc1ccc(o1)CN1CCCC21CCN(CC2)c1cc(C)nc2c1cccc2
• InChI: InChI=1S/C24H29N3O2/c1-18-15-23(21-5-2-3-6-22(21)25-18)26-13-10-24(11-14-26)9-4-12-27(24)16-19-7-8-20(17-28)29-19/h2-3,5-8,15,28H,4,9-14,16-17H2,1H3
• InChIKey: FEMPVCBXWJVDAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{[8-(2-methylquinolin-4-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl}furan-2-yl)methanol
• IUPAC Traditional name: (5-{[8-(2-methylquinolin-4-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl}furan-2-yl)methanol
• Synonyms: (5-{[8-(2-methyl-4-quinolinyl)-1,8-diazaspiro[4.5]dec-1-yl]methyl}-2-furyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.72602
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4189255
• LogD (pH = 7.4): -0.33967432
• Log P: 2.664058
• Molar Refractivity: 115.578 cm^3
• Polarizability: 45.412487 Å^3
• Polar Surface Area: 52.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.05
• LOG S: -3.65
• Polar Surface Area: 52.74 Å^2
• Rotatable Bonds: 4