2-({[2-(3,4-Dihydro-1(2H)-Quinolinyl)-2-Oxoethyl](Methyl)Amino}Methyl)-4(1H)-Quinazolinone

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Properties Simple | Detailed

Formula C21H23N4O2+
IUPAC Name 2-[[[2-(3,4-dihydro-2h-quinolin-1-yl)-2-oxo-ethyl]-methyl-amino]methyl]quinazolin-1-ium-3-id-4-one
Molecular Mass 363.433 g·mol−1
Heat of Formation -82.2 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 431.65 Å 3
Surface Area 325.1 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[[2-(3,4-dihydro-2h-quinolin-1-yl)-2-keto-ethyl]-methyl-amino]methyl]-1h-quinazolin-4-one
  • 2-[[[2-(3,4-dihydro-2h-quinolin-1-yl)-2-oxo-ethyl]-methyl-amino]methyl]-1h-quinazolin-4-one
  • t5580391
InChIKey MTDOUFMMCOQZJF-UHFFFAOYSA-N
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