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Search term: QZOPKQLEQTWWNX-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Dimethyl N-({1-[4-(6-fluoro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl}methyl)aspartate | C30H27FN4O6

Dimethyl N-({1-[4-(6-fluoro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl}methyl)aspartate

  • Molecular FormulaC30H27FN4O6
  • Average mass558.557 Da
  • Monoisotopic mass558.191467 Da
  • ChemSpider ID23189601

More details:

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

Aspartic acid, N-[[1-[4-(6-fluoro-1H-indol-3-yl)-2,5-dihydro-2,5-dioxo-1H-pyrrol-3-yl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl]methyl]-, dimethyl ester [ACD/Index Name]
Dimethyl N-({1-[4-(6-fluoro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl}methyl)aspartate [ACD/IUPAC Name]
Dimethyl-N-({1-[4-(6-fluor-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]chinolin-5-yl}methyl)aspartat [German] [ACD/IUPAC Name]
N-({1-[4-(6-Fluoro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoléin-5-yl}méthyl)aspartate de diméthyle [French] [ACD/IUPAC Name]
2-({1-[4-(6-Fluoro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-ylmethyl}-amino)-succinic acid dimethyl ester

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

Density: 1.5±0.1 g/cm3
Boiling Point: 824.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 452.7±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 144.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 98.73
ACD/KOC (pH 5.5): 711.53
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 184.37
ACD/KOC (pH 7.4): 1328.69
Polar Surface Area: 132 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 371.8±7.0 cm3

Click to predict properties on the Chemicalize site


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