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Search term: CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)CCCN(C)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)butanamide | C30H31ClN6O3

N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)butanamide

  • Molecular FormulaC30H31ClN6O3
  • Average mass559.058 Da
  • Monoisotopic mass558.214600 Da
  • ChemSpider ID23328198

More details:

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

N-(4-{[3-Chlor-4-(2-pyridinylmethoxy)phenyl]amino}-3-cyan-7-ethoxy-6-chinolinyl)-4-(dimethylamino)butanamid [German] [ACD/IUPAC Name]
N-(4-{[3-Chloro-4-(2-pyridinylméthoxy)phényl]amino}-3-cyano-7-éthoxy-6-quinoléinyl)-4-(diméthylamino)butanamide [French] [ACD/IUPAC Name]
N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)butanamide [ACD/IUPAC Name]
N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide
butanamide, N-[4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)- [ACD/Index Name]
N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide

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

Density: 1.3±0.0 g/cm3
Boiling Point: 736.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 107.4±0.0 kJ/mol
Flash Point: 398.9±0.0 °C
Index of Refraction: 1.653
Molar Refractivity: 155.2±0.0 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 4.09
ACD/KOC (pH 5.5): 13.23
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 79.29
ACD/KOC (pH 7.4): 256.51
Polar Surface Area: 112 Å2
Polarizability: 61.5±0.0 10-24cm3
Surface Tension: 68.0±0.0 dyne/cm
Molar Volume: 423.4±0.0 cm3

Click to predict properties on the Chemicalize site


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