9-(8-methoxyquinolin-2-yl)-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane

• ChemBase ID: 360212
• Molecular Formular: C20H28N4O
• Molecular Mass: 340.46252
• Monoisotopic Mass: 340.22631154
• SMILES: n1c(N2CCC3(N(CCN(C3)C)C)CC2)ccc2c1c(OC)ccc2
• Canonical SMILES: COc1cccc2c1nc(cc2)N1CCC2(CC1)CN(C)CCN2C
• InChI: InChI=1S/C20H28N4O/c1-22-13-14-23(2)20(15-22)9-11-24(12-10-20)18-8-7-16-5-4-6-17(25-3)19(16)21-18/h4-8H,9-15H2,1-3H3
• InChIKey: PPMHONFLZTXXAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(8-methoxyquinolin-2-yl)-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
• IUPAC Traditional name: 9-(8-methoxyquinolin-2-yl)-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
• Synonyms: 9-(8-methoxyquinolin-2-yl)-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.1684064
• LogD (pH = 7.4): 0.49993005
• Log P: 2.473425
• Molar Refractivity: 102.5754 cm^3
• Polarizability: 40.650826 Å^3
• Polar Surface Area: 31.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.7
• LOG S: -1.27
• Polar Surface Area: 31.84 Å^2
• Rotatable Bonds: 2