Found 1 result

Search term: NUXDKRDLDDGPBW-GFCCVEGCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4R)-6,7-Dichloro-N-(6-fluoro-4-isoquinolinyl)-1,2,3,4-tetrahydro-4-quinolinecarboxamide | C19H14Cl2FN3O

(4R)-6,7-Dichloro-N-(6-fluoro-4-isoquinolinyl)-1,2,3,4-tetrahydro-4-quinolinecarboxamide

  • Molecular FormulaC19H14Cl2FN3O
  • Average mass390.238 Da
  • Monoisotopic mass389.049805 Da
  • ChemSpider ID114933860

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-6,7-Dichlor-N-(6-fluor-4-isochinolinyl)-1,2,3,4-tetrahydro-4-chinolincarboxamid [German] [ACD/IUPAC Name]
(4R)-6,7-Dichloro-N-(6-fluoro-4-isoquinoléinyl)-1,2,3,4-tétrahydro-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
(4R)-6,7-Dichloro-N-(6-fluoro-4-isoquinolinyl)-1,2,3,4-tetrahydro-4-quinolinecarboxamide [ACD/IUPAC Name]
4-Quinolinecarboxamide, 6,7-dichloro-N-(6-fluoro-4-isoquinolinyl)-1,2,3,4-tetrahydro-, (4R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 616.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.6±31.5 °C
Index of Refraction: 1.685
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 1971.75
ACD/KOC (pH 5.5): 7744.57
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2153.70
ACD/KOC (pH 7.4): 8459.20
Polar Surface Area: 54 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 266.3±3.0 cm3

Click to predict properties on the Chemicalize site


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