4-((2-(7-Chloro-2-Phenyl-2H-Pyrazolo(4,3-C)Quinolin-4-Yl)Ethyl)Amino)Benzonitrile

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Properties Simple | Detailed

Formula C25H18ClN5
IUPAC Name 4-[2-(7-chloro-2-phenyl-pyrazolo[4,3-c]quinolin-2-ium-4-yl)ethylamino]benzonitrile
Molecular Mass 423.897 g·mol−1
Heat of Formation 652.8 ± 16.7 kJ·mol−1
Dipole Moment 12.32 ± 1.08 D
Volume 492.43 Å 3
Surface Area 436.37 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[2-(7-chloro-2-phenyl-4-pyrazolo[4,3-c]quinolinyl)ethylamino]benzonitrile
  • 4-[2-(7-chloro-2-phenyl-pyrazolo[4,3-c]quinolin-4-yl)ethylamino]benzonitrile
  • 4-[2-(7-chloro-2-phenylpyrazolo[4,3-c]quinolin-4-yl)ethylamino]benzonitrile
  • wy 48989
  • wy-48,989
CAS Number(s)
  • 136917-40-3
InChIKey GYVYUQVVKBZPRY-UHFFFAOYSA-N
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Elements H C N Cl