2-[2-(5-Bromo-1H-Indol-3-Yl)Ethyl]-3-(3-Isopropoxyphenyl)-4(3H)-Quinazolinone

Molecule SVG Image

Properties Simple | Detailed

Formula C27H23BrN3O2
IUPAC Name 2-[2-(5-bromoindol-1-ium-3-yl)ethyl]-3-[3-[(e)-prop-1-enoxy]phenyl]quinazolin-1-ium-4a-id-4-one
Molecular Mass 501.394 g·mol−1
Heat of Formation 695.6 ± 16.7 kJ·mol−1
Dipole Moment 7.38 ± 1.08 D
Volume 537.1 Å 3
Surface Area 406.05 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • tocris-1018
InChIKey KUECXUACQOYKNB-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N