ChemSpider 2D Image | 1-Cyclopropyl-7-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-8-methyl-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C25H25N3O7

1-Cyclopropyl-7-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-8-methyl-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC25H25N3O7
  • Average mass479.482 Da
  • Monoisotopic mass479.169250 Da
  • ChemSpider ID34555102

More details:

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

1-Cyclopropyl-7-(6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)-8-methyl-6-nitro-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
1-Cyclopropyl-7-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-8-methyl-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-1,4-dihydro-8-methyl-6-nitro-4-oxo- [ACD/Index Name]
Acide 1-cyclopropyl-7-(6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)-8-méthyl-6-nitro-4-oxo-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 739.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 401.0±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 124.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 365.41
ACD/KOC (pH 5.5): 2317.88
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 47.76
ACD/KOC (pH 7.4): 302.95
Polar Surface Area: 125 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 332.4±3.0 cm3

Click to predict properties on the Chemicalize site


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