ChemSpider 2D Image | Methyl 1-{N-[(5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)carbonyl]-L-alanyl}-4-piperidinecarboxylate | C23H27N3O7

Methyl 1-{N-[(5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)carbonyl]-L-alanyl}-4-piperidinecarboxylate

  • Molecular FormulaC23H27N3O7
  • Average mass457.476 Da
  • Monoisotopic mass457.184906 Da
  • ChemSpider ID22882429
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-{N-[(5-Éthyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoléin-7-yl)carbonyl]-L-alanyl}-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(2S)-2-[[(5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo[4,5-g]quinolin-7-yl)carbonyl]amino]-1-oxopropyl]-, methyl ester [ACD/Index Name]
Methyl 1-{N-[(5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)carbonyl]-L-alanyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-{N-[(5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]chinolin-7-yl)carbonyl]-L-alanyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]
(S)-methyl 1-(2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)propanoyl)piperidine-4-carboxylate
1-{2-[(5-Ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)-amino]-propionyl}-piperidine-4-carboxylic acid methyl ester
1014085-02-9 [RN]
C23H27N3O7
methyl 1-[(2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoyl]piperidine-4-carboxylate
methyl 1-{N-[(5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)carbonyl]-L-alanyl}piperidine-4-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 702.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.6±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 114.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.40
ACD/KOC (pH 5.5): 83.65
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.40
ACD/KOC (pH 7.4): 83.61
Polar Surface Area: 114 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 342.1±3.0 cm3

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