ChemSpider 2D Image | 1-{[(6-Methoxy-4-{[5-(methylcarbamoyl)-2-naphthyl]oxy}-7-quinolinyl)oxy]methyl}cyclopropanaminium | C26H26N3O4

1-{[(6-Methoxy-4-{[5-(methylcarbamoyl)-2-naphthyl]oxy}-7-quinolinyl)oxy]methyl}cyclopropanaminium

  • Molecular FormulaC26H26N3O4
  • Average mass444.502 Da
  • Monoisotopic mass444.191772 Da
  • ChemSpider ID28532896

  • Charge - Charge

More details:

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

1-{[(6-Methoxy-4-{[5-(methylcarbamoyl)-2-naphthyl]oxy}-7-chinolinyl)oxy]methyl}cyclopropanaminium [German] [ACD/IUPAC Name]
1-{[(6-Methoxy-4-{[5-(methylcarbamoyl)-2-naphthyl]oxy}-7-quinolinyl)oxy]methyl}cyclopropanaminium [ACD/IUPAC Name]
1-{[(6-Méthoxy-4-{[5-(méthylcarbamoyl)-2-naphtyl]oxy}-7-quinoléinyl)oxy]méthyl}cyclopropanaminium [French] [ACD/IUPAC Name]
1-Naphthalenecarboxamide, 6-[[7-[(1-aminocyclopropyl)methoxy]-6-methoxy-4-quinolinyl]oxy]-N-methyl-, conjugate monoacid [ACD/Index Name]
1-{[(6-methoxy-4-{[5-(methylcarbamoyl)-2-naphthyl]oxy}quinolin-7-yl)oxy]methyl}cyclopropanaminium
E-3810 cation
E-3810(1+)
  • Miscellaneous

    • Chemical Class:

      An organic cation obtained by protonation of the primary amino function of 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide ChEBI CHEBI:65208

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

Density:
Boiling Point: 696.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.0±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 33.92
ACD/KOC (pH 7.4): 309.45
Polar Surface Area: 97 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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