N-((Methoxycarbonyl)(Phenyl)Amino)-3-(4-Tert-Butylpiperazin-1-Ylmethyl)-8-Fluoro-2-Phenylquinoline-4-Carboxamide

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Properties Simple | Detailed

Formula C33H36FN5O3
IUPAC Name methyl n-[[3-[(4-tert-butylpiperazin-1-yl)methyl]-8-fluoro-2-phenyl-quinoline-4-carbonyl]amino]-n-phenyl-carbamate
Molecular Mass 569.669 g·mol−1
Heat of Formation -233.1 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 684.17 Å 3
Surface Area 498.17 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
Synonyms
  • methyl n-[[3-[(4-tert-butylpiperazin-1-yl)methyl]-8-fluoro-2-phenyl-quinolin-4-yl]carbonylamino]-n-phenyl-carbamate
  • methyl n-[[3-[(4-tert-butylpiperazin-1-yl)methyl]-8-fluoro-2-phenyl-quinoline-4-carbonyl]amino]-n-phenyl-carbamate
  • methyl n-[[3-[(4-tert-butylpiperazin-1-yl)methyl]-8-fluoro-2-phenylquinoline-4-carbonyl]amino]-n-phenylcarbamate
  • n-[[3-[(4-tert-butylpiperazin-1-yl)methyl]-8-fluoro-2-phenyl-quinoline-4-carbonyl]amino]-n-phenyl-carbamic acid methyl ester
  • n-[[[3-[(4-tert-butyl-1-piperazinyl)methyl]-8-fluoro-2-phenyl-4-quinolyl]-oxomethyl]amino]-n-phenylcarbamic acid methyl ester
InChIKey KQNYTTDHCMFOME-UHFFFAOYSA-N
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