ChemSpider 2D Image | 5-Amino-7-[(3R)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C17H18F2N4O3

5-Amino-7-[(3R)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC17H18F2N4O3
  • Average mass364.347 Da
  • Monoisotopic mass364.134705 Da
  • ChemSpider ID23144780

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Quinolinecarboxylic acid, 5-amino-7-[(3R)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo- [ACD/Index Name]
5-Amino-7-[(3R)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluor-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
5-Amino-7-[(3R)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
Acide 5-amino-7-[(3R)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]
5-Amino-7-(3-amino-pyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
5-amino-7-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL417018/

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 642.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.1±31.5 °C
Index of Refraction: 1.699
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.03
ACD/LogD (pH 5.5): -3.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 82.6±3.0 dyne/cm
Molar Volume: 227.0±3.0 cm3

Click to predict properties on the Chemicalize site


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