1'-(8-methoxyquinolin-2-yl)-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

• ChemBase ID: 750995
• Molecular Formular: C22H21N3O2
• Molecular Mass: 359.42104
• Monoisotopic Mass: 359.16337693
• SMILES: C12(C(=O)Nc3c1cccc3)CN(c1nc3c(OC)cccc3cc1)CCC2
• Canonical SMILES: COc1cccc2c1nc(cc2)N1CCCC2(C1)C(=O)Nc1c2cccc1
• InChI: InChI=1S/C22H21N3O2/c1-27-18-9-4-6-15-10-11-19(24-20(15)18)25-13-5-12-22(14-25)16-7-2-3-8-17(16)23-21(22)26/h2-4,6-11H,5,12-14H2,1H3,(H,23,26)
• InChIKey: QGKDIDWTVQRYDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'-(8-methoxyquinolin-2-yl)-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
• IUPAC Traditional name: 1'-(8-methoxyquinolin-2-yl)-1H-spiro[indole-3,3'-piperidine]-2-one
• Synonyms: 1'-(8-methoxyquinolin-2-yl)spiro[indole-3,3'-piperidin]-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.179168
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.04172
• LogD (pH = 7.4): 4.0554442
• Log P: 4.055623
• Molar Refractivity: 106.2278 cm^3
• Polarizability: 40.99255 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.41
• LOG S: -3.88
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 2