N-(4-Isopropoxyphenyl)-4-{6-Methoxy-7-[3-(1-Piperidinyl)Propoxy]-4-Quinazolinyl}-1-Piperazinecarboxamide

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Properties Simple | Detailed

Formula C31H42N6O4
IUPAC Name [4-[5-(2-hydroxyethynyl)-6-[2-[3-(penta-1,3-diynylamino)prop-2-ynoxy]ethynyl]-2,5-dihydropyrimidin-4-yl]pyrazine-1,4-diium-1-carbonyl]-(oxomethylene)ammonium
Molecular Mass 562.703 g·mol−1
Heat of Formation -412.7 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 688.04 Å 3
Surface Area 551.64 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • (4-(6-methoxy-7-(3-piperidylpropoxy)quinazolin-4-yl)piperazinyl)-n-(4-(methylethoxy)phenyl)carboxamide
  • 1-piperazinecarboxamide, 4-(6-methoxy-7-(3-(1-piperidinyl)propoxy)-4-quinazolinyl)-n-(4-(1-methylethoxy)phenyl)-
  • 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-n-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
  • ct 53518
  • ct53518
  • d06005
  • mln 518
  • n-(4-isopropoxyphenyl)-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carboxamide
  • n-(4-isopropoxyphenyl)-4-[6-methoxy-7-[3-(1-piperidyl)propoxy]-4-quinazolinyl]-1-piperazinecarboxamide
  • n-(4-isopropoxyphenyl)-4-[6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]piperazine-1-carboxamide
  • tandutinib
  • tandutinib (usan)
CAS Number(s)
  • 387867-13-2
InChIKey UXXQOJXBIDBUAC-UHFFFAOYSA-N
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