2-(2-methoxyethyl)-8-(6-methylquinolin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 819268
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: N1(c2c3c(ncc2)ccc(c3)C)CC2(CN(C(=O)CC2)CCOC)CCC1
• Canonical SMILES: COCCN1CC2(CCCN(C2)c2ccnc3c2cc(C)cc3)CCC1=O
• InChI: InChI=1S/C22H29N3O2/c1-17-4-5-19-18(14-17)20(7-10-23-19)24-11-3-8-22(15-24)9-6-21(26)25(16-22)12-13-27-2/h4-5,7,10,14H,3,6,8-9,11-13,15-16H2,1-2H3
• InChIKey: GNZVTQDNSIXQSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-8-(6-methylquinolin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(2-methoxyethyl)-8-(6-methylquinolin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(2-methoxyethyl)-8-(6-methyl-4-quinolinyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4226265
• LogD (pH = 7.4): 2.0037892
• Log P: 2.745841
• Molar Refractivity: 107.5007 cm^3
• Polarizability: 42.38952 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.98
• LOG S: -4.42
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4