ChemSpider 2D Image | 1-(4-amino-2-fluorophenyl)-6-fluoro-1,4-dihydro-7-(4-(2-(4-methoxyphenyl)-2-oxoethyl)-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid | C29H26F2N4O5

1-(4-amino-2-fluorophenyl)-6-fluoro-1,4-dihydro-7-(4-(2-(4-methoxyphenyl)-2-oxoethyl)-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid

  • Molecular FormulaC29H26F2N4O5
  • Average mass548.537 Da
  • Monoisotopic mass548.187134 Da
  • ChemSpider ID423409

More details:

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

1-(4-amino-2-fluorophenyl)-6-fluoro-1,4-dihydro-7-(4-(2-(4-methoxyphenyl)-2-oxoethyl)-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
1-(4-Amino-2-fluorophenyl)-6-fluoro-7-{4-[2-(4-methoxyphenyl)-2-oxoethyl]-1-piperazinyl}-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
1-(4-amino-2-fluorophenyl)-6-fluoro-7-{4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
1-(4-Amino-2-fluorphenyl)-6-fluor-7-{4-[2-(4-methoxyphenyl)-2-oxoethyl]-1-piperazinyl}-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1-(4-amino-2-fluorophenyl)-6-fluoro-1,4-dihydro-7-[4-[2-(4-methoxyphenyl)-2-oxoethyl]-1-piperazinyl]-4-oxo- [ACD/Index Name]
Acide 1-(4-amino-2-fluorophényl)-6-fluoro-7-{4-[2-(4-méthoxyphényl)-2-oxoéthyl]-1-pipérazinyl}-4-oxo-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]
1-(4-Amino-2-fluorophenyl)-6-fluoro-7-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
1-(4-Amino-2-fluoro-phenyl)-6-fluoro-7-{4-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-piperazin-1-yl}-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid

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

AIDS102581 [DBID]
AIDS-102581 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 797.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 436.0±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 141.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.36
ACD/KOC (pH 5.5): 147.25
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.70
Polar Surface Area: 116 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 386.6±3.0 cm3

Click to predict properties on the Chemicalize site


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