methyl 1-(2-methoxyethoxy)-2-oxo-8-(2,5,7-trimethylquinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate

• ChemBase ID: 321790
• Molecular Formular: C26H33N3O6
• Molecular Mass: 483.55672
• Monoisotopic Mass: 483.23693579
• SMILES: C12(C(CC(=O)N1OCCOC)C(=O)OC)CCN(C(=O)c1c3c(nc(c1)C)cc(cc3C)C)CC2
• Canonical SMILES: COCCON1C(=O)CC(C21CCN(CC2)C(=O)c1cc(C)nc2c1c(C)cc(c2)C)C(=O)OC
• InChI: InChI=1S/C26H33N3O6/c1-16-12-17(2)23-19(14-18(3)27-21(23)13-16)24(31)28-8-6-26(7-9-28)20(25(32)34-5)15-22(30)29(26)35-11-10-33-4/h12-14,20H,6-11,15H2,1-5H3
• InChIKey: XMODBBFLKSYXOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-(2-methoxyethoxy)-2-oxo-8-(2,5,7-trimethylquinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
• IUPAC Traditional name: methyl 1-(2-methoxyethoxy)-2-oxo-8-(2,5,7-trimethylquinoline-4-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylate
• Synonyms: methyl 1-(2-methoxyethoxy)-2-oxo-8-[(2,5,7-trimethyl-4-quinolinyl)carbonyl]-1,8-diazaspiro[4.5]decane-4-carboxylate

CALCULATED PROPERTIES

JChem

• Polarizability: 50.935333 Å^3
• Polar Surface Area: 98.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 18.863644
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.592966
• LogD (pH = 7.4): 1.6198967
• Log P: 1.6202514
• Molar Refractivity: 129.2809 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 98.27 Å^2
• Rotatable Bonds: 7
• H Acceptors: 7
• H Donor: 0
• Log P: 1.54
• LOG S: -4.04