ethyl 4-(1-methyl-4-oxo-1,4-dihydroquinoline-3-amido)piperidine-1-carboxylate

• ChemBase ID: 694212
• Molecular Formular: C19H23N3O4
• Molecular Mass: 357.40362
• Monoisotopic Mass: 357.16885623
• SMILES: c1(c(=O)c2c(n(c1)C)cccc2)C(=O)NC1CCN(C(=O)OCC)CC1
• Canonical SMILES: CCOC(=O)N1CCC(CC1)NC(=O)c1cn(C)c2c(c1=O)cccc2
• InChI: InChI=1S/C19H23N3O4/c1-3-26-19(25)22-10-8-13(9-11-22)20-18(24)15-12-21(2)16-7-5-4-6-14(16)17(15)23/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,24)
• InChIKey: TXNZJINZZLHDDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-(1-methyl-4-oxo-1,4-dihydroquinoline-3-amido)piperidine-1-carboxylate
• IUPAC Traditional name: ethyl 4-(1-methyl-4-oxoquinoline-3-amido)piperidine-1-carboxylate
• Synonyms: ethyl 4-{[(1-methyl-4-oxo-1,4-dihydroquinolin-3-yl)carbonyl]amino}piperidine-1-carboxylate

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.000496
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0196341
• LogD (pH = 7.4): 1.0196384
• Log P: 1.0196384
• Molar Refractivity: 98.1412 cm^3
• Polarizability: 36.900475 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.51
• LOG S: -2.24
• Polar Surface Area: 80.64 Å^2
• Rotatable Bonds: 4