N-[2-({4-[2-(3,4-Dihydro-2(1H)-Isoquinolinyl)Ethyl]Phenyl}Carbamoyl)Phenyl]-3-Quinolinecarboxamide

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Formula C34H30N4O2
IUPAC Name n-[2-[[4-[2-(3,4-dihydro-1h-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]quinoline-3-carboxamide
Molecular Mass 526.628 g·mol−1
Heat of Formation 159.4 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 639.88 Å 3
Surface Area 530.05 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • n-[2-[[4-[2-(3,4-dihydro-1h-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]quinoline-3-carboxamide
  • n-[2-[[[4-[2-(3,4-dihydro-1h-isoquinolin-2-yl)ethyl]phenyl]amino]-oxomethyl]phenyl]-3-quinolinecarboxamide
InChIKey JCKRZMGEVAGHHV-UHFFFAOYSA-N
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