7-(cyclopropylmethyl)-2-(8-methoxyquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 710698
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(c2nc3c(OC)cccc3cc2)CC1
• Canonical SMILES: COc1cccc2c1nc(cc2)N1CCC2(C1)CCCN(C2=O)CC1CC1
• InChI: InChI=1S/C22H27N3O2/c1-27-18-5-2-4-17-8-9-19(23-20(17)18)25-13-11-22(15-25)10-3-12-24(21(22)26)14-16-6-7-16/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3
• InChIKey: QQCPWDHLILIGFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-(8-methoxyquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-(8-methoxyquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-(8-methoxy-2-quinolinyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3942165
• LogD (pH = 7.4): 3.4080377
• Log P: 3.408217
• Molar Refractivity: 105.7395 cm^3
• Polarizability: 41.725636 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: 1.71
• LOG S: -3.33
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4