6-({[4-(1H-Indol-1-Ylsulfonyl)Phenyl](2-Propyn-1-Yl)Amino}Methyl)-2-Methyl-4(1H)-Quinazolinone

Molecule SVG Image

Properties Simple | Detailed

Formula C27H22N4O3S
IUPAC Name (z)-[4-[[4-[[(3z,5z,7z)-2,9-dihydroazonin-1-yl]sulfonyl]-n-ethynyl-anilino]methyl]-6-(oxomethylene)cyclohexa-2,4-dien-1-ylidene]cyanamide
Molecular Mass 482.554 g·mol−1
Heat of Formation 207.0 ± 16.7 kJ·mol−1
Dipole Moment 9.43 ± 1.08 D
Volume 554.1 Å 3
Surface Area 469.11 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((4-(((1,4-dihydro-2-methyl-4-oxo-6-quinazolinl)methyl)-2-propynylamino)phenyl)sulfonyl)-1h-indole
  • 1-((4-(((1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)phenyl)sulfonyl)-1h-indole
  • 1h-indole, 1-((4-(((1,4-dihydro-2-methyl-4-oxo-6-quinazolinl)methyl)-2-propynylamino)phenyl)sulfonyl)-
  • 1h-indole, 1-((4-(((1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)phenyl)sulfonyl)-
  • 6-[[(4-indol-1-ylsulfonylphenyl)-prop-2-ynyl-amino]methyl]-2-methyl-1h-quinazolin-4-one
  • 6-[[(4-indol-1-ylsulfonylphenyl)-prop-2-ynylamino]methyl]-2-methyl-1h-quinazolin-4-one
  • 6-[[(4-indol-1-ylsulfonylphenyl)-propargyl-amino]methyl]-2-methyl-1h-quinazolin-4-one
  • 6-[[[4-(1-indolylsulfonyl)phenyl]-prop-2-ynylamino]methyl]-2-methyl-1h-quinazolin-4-one
  • ag 85
  • ag 85 (pharmaceutical)
  • ag-85
  • n-(n4-((3,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)-n4-(prop-2-ynyl)sulfanilyl)indole
CAS Number(s)
  • 152503-91-8
InChIKey RZPDNDSSUGJDEO-UHFFFAOYSA-N
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