ChemSpider 2D Image | 7-{4-[(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl]-1-piperazinyl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C29H25FN4O5

7-{4-[(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl]-1-piperazinyl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC29H25FN4O5
  • Average mass528.531 Da
  • Monoisotopic mass528.180908 Da
  • ChemSpider ID24710256

More details:

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

3-Quinolinecarboxylic acid, 7-[4-[(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)methyl]-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo- [ACD/Index Name]
7-{4-[(1,3-Dioxo-1H-benzo[de]isochinolin-2(3H)-yl)methyl]-1-piperazinyl}-1-ethyl-6-fluor-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
7-{4-[(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl]-1-piperazinyl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
Acide 7-{4-[(1,3-dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)méthyl]-1-pipérazinyl}-1-éthyl-6-fluoro-4-oxo-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL500686/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 763.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 415.8±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 139.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 23.65
ACD/KOC (pH 5.5): 256.85
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.96
Polar Surface Area: 101 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 68.5±3.0 dyne/cm
Molar Volume: 362.8±3.0 cm3

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