ethyl N-(4-cyclopentyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)carbamate

• ChemBase ID: 581200
• Molecular Formular: C17H22N2O3
• Molecular Mass: 302.36818
• Monoisotopic Mass: 302.16304257
• SMILES: c12NC(=O)CC(c1ccc(c2)NC(=O)OCC)C1CCCC1
• Canonical SMILES: CCOC(=O)Nc1ccc2c(c1)NC(=O)CC2C1CCCC1
• InChI: InChI=1S/C17H22N2O3/c1-2-22-17(21)18-12-7-8-13-14(11-5-3-4-6-11)10-16(20)19-15(13)9-12/h7-9,11,14H,2-6,10H2,1H3,(H,18,21)(H,19,20)
• InChIKey: ARELVUXKSWHGAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl N-(4-cyclopentyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)carbamate
• IUPAC Traditional name: ethyl N-(4-cyclopentyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl)carbamate
• Synonyms: ethyl (4-cyclopentyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)carbamate

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.828987
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.1744466
• LogD (pH = 7.4): 3.1744452
• Log P: 3.1744466
• Molar Refractivity: 86.5191 cm^3
• Polarizability: 32.217674 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.29
• LOG S: -4.21
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4