4-({spiro[indene-1,4'-piperidine]-1'-yl}carbonyl)-1,2-dihydroquinolin-2-one

• ChemBase ID: 834195
• Molecular Formular: C23H20N2O2
• Molecular Mass: 356.4171
• Monoisotopic Mass: 356.15247789
• SMILES: c1(C(=O)N2CCC3(C=Cc4c3cccc4)CC2)c2c([nH]c(=O)c1)cccc2
• Canonical SMILES: O=c1[nH]c2ccccc2c(c1)C(=O)N1CCC2(CC1)C=Cc1c2cccc1
• InChI: InChI=1S/C23H20N2O2/c26-21-15-18(17-6-2-4-8-20(17)24-21)22(27)25-13-11-23(12-14-25)10-9-16-5-1-3-7-19(16)23/h1-10,15H,11-14H2,(H,24,26)
• InChIKey: GQZXZLYTFLRUFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({spiro[indene-1,4'-piperidine]-1'-yl}carbonyl)-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 4-({spiro[indene-1,4'-piperidine]-1'-yl}carbonyl)-1H-quinolin-2-one
• Synonyms: 4-(1'H-spiro[indene-1,4'-piperidin]-1'-ylcarbonyl)-2(1H)-quinolinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.376892
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0703485
• LogD (pH = 7.4): 3.0703487
• Log P: 3.0703492
• Molar Refractivity: 108.5103 cm^3
• Polarizability: 40.058254 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.29
• LOG S: -4.61
• Polar Surface Area: 53.17 Å^2
• Rotatable Bonds: 1