3-(1,4'-Bipiperidin-1'-Ylmethyl)-N-[(2S)-3,3-Dimethyl-2-Butanyl]-2-Phenyl-4-Quinolinecarboxamide

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Properties Simple | Detailed

Formula C33H44N4O
IUPAC Name (2r)-n-buta-1,3-diynyl-n-ethynyl-2'-methylene-3-[[3-(2h-pyridin-1-yl)penta-1,4-diynylamino]methyl]spiro[3h-quinoline-2,1'-cyclopropane]-4-carboxamide
Molecular Mass 512.729 g·mol−1
Heat of Formation -30.4 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 669.71 Å 3
Surface Area 522.78 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2-phenyl-3-[(4-piperidino-1-piperidyl)methyl]-n-[(1s)-1,2,2-trimethylpropyl]cinchoninamide
  • 2-phenyl-3-[[4-(1-piperidyl)-1-piperidinyl]methyl]-n-[(1s)-1,2,2-trimethylpropyl]-4-quinolinecarboxamide
  • 2-phenyl-3-[[4-(1-piperidyl)-1-piperidyl]methyl]-n-[(1s)-1,2,2-trimethylpropyl]quinoline-4-carboxamide
  • n-[(2s)-3,3-dimethylbutan-2-yl]-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
InChIKey RTUNBOPBBCULLC-DEOSSOPVSA-N
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