8-(6-chloroquinolin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 697195
• Molecular Formular: C21H26ClN3O2
• Molecular Mass: 387.90304
• Monoisotopic Mass: 387.17135477
• SMILES: N1(C(=O)CC2(C1)CCN(c1nc3c(cc(cc3)Cl)cc1)CC2)CCCOC
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)c1ccc2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C21H26ClN3O2/c1-27-12-2-9-25-15-21(14-20(25)26)7-10-24(11-8-21)19-6-3-16-13-17(22)4-5-18(16)23-19/h3-6,13H,2,7-12,14-15H2,1H3
• InChIKey: CTADUXSRVXQNMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(6-chloroquinolin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(6-chloroquinolin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(6-chloro-2-quinolinyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.802902
• LogD (pH = 7.4): 2.8891828
• Log P: 2.8904054
• Molar Refractivity: 107.9962 cm^3
• Polarizability: 42.476665 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.87
• LOG S: -3.62
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5