Found 1 result

Search term: NXHZGQGDNJFJIQ-XANCMCCPSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R,3S,4S)-4-Anilino-2-ethyl-3-methyl-N-phenyl-3,4-dihydro-1(2H)-quinolinecarboxamide | C25H27N3O

(2R,3S,4S)-4-Anilino-2-ethyl-3-methyl-N-phenyl-3,4-dihydro-1(2H)-quinolinecarboxamide

  • Molecular FormulaC25H27N3O
  • Average mass385.501 Da
  • Monoisotopic mass385.215424 Da
  • ChemSpider ID23332172

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S,4S)-4-Anilino-2-ethyl-3-methyl-N-phenyl-3,4-dihydro-1(2H)-chinolincarboxamid [German] [ACD/IUPAC Name]
(2R,3S,4S)-4-Anilino-2-éthyl-3-méthyl-N-phényl-3,4-dihydro-1(2H)-quinoléinecarboxamide [French] [ACD/IUPAC Name]
(2R,3S,4S)-4-Anilino-2-ethyl-3-methyl-N-phenyl-3,4-dihydro-1(2H)-quinolinecarboxamide [ACD/IUPAC Name]
1(2H)-Quinolinecarboxamide, 2-ethyl-3,4-dihydro-3-methyl-N-phenyl-4-(phenylamino)-, (2R,3S,4S)- [ACD/Index Name]
(2R,3S,4S)-2-ethyl-3-methyl-N-phenyl-4-(phenylamino)-3,4-dihydroquinoline-1(2H)-carboxamide
CHEMBL461325
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL461325/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 585.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 307.9±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 119.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3453.44
ACD/KOC (pH 5.5): 11799.11
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3517.62
ACD/KOC (pH 7.4): 12018.41
Polar Surface Area: 44 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 328.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement