2-[(3-Pyridinylcarbonyl)Amino]Ethyl 2-[(7-Chloro-4-Quinolinyl)Amino]Benzoate

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Properties Simple | Detailed

Formula C24H19ClN4O3
IUPAC Name 2-(pyridine-3-carbonylamino)ethyl 2-[(7-chloro-4-quinolyl)amino]benzoate
Molecular Mass 446.886 g·mol−1
Heat of Formation -154.6 ± 16.7 kJ·mol−1
Dipole Moment 8.05 ± 1.08 D
Volume 504.53 Å 3
Surface Area 380.88 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((7-chloro-4-quinolinyl)amino)-2-((3-pyridinylcarbonyl)amino)benzoic acid ethyl ester
  • 2-(nicotinoylamino)ethyl n-(7-chlor-4-chinolyl)anthranilat
  • 2-(pyridin-3-ylcarbonylamino)ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate
  • 2-(pyridine-3-carbonylamino)ethyl 2-[(7-chloroquinolin-4-yl)amino]benzoate
  • 2-[(7-chloro-4-quinolyl)amino]benzoic acid 2-(pyridine-3-carbonylamino)ethyl ester
  • 2-[(7-chloro-4-quinolyl)amino]benzoic acid 2-[[oxo-(3-pyridyl)methyl]amino]ethyl ester
  • n-(7-chloro-4-quinolyl)anthranilic acid ester with n-(2-hydroxyethyl)nicotinamide
  • nicafenine
CAS Number(s)
  • 64039-88-9
InChIKey XHMFPDMOPBXSDM-UHFFFAOYSA-N
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Elements H C N O Cl