Formula |
C18H15N5O3 |
IUPAC Name |
2-amino-6-[(4-nitro-n-prop-2-ynyl-anilino)methyl]-1h-quinazolin-4-one |
Molecular Mass |
349.343 g·mol−1 |
Heat of Formation |
361.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
15.54 ± 1.08 D |
Volume |
396.97 Å 3 |
Surface Area |
351.12 Å 2 |
HOMO Energy |
-8.77 ± 0.55 eV |
LUMO Energy |
2.02 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-amino-6-(((4-nitrophenyl)-2-propynylamino)methyl)-4(3h)quinazolinone
- 2-amino-6-[[(4-nitrophenyl)-prop-2-ynyl-amino]methyl]-1h-quinazolin-4-one
- 2-amino-6-[[(4-nitrophenyl)-prop-2-ynylamino]methyl]-1h-quinazolin-4-one
- 2-amino-6-[[(4-nitrophenyl)-propargyl-amino]methyl]-1h-quinazolin-4-one
- 4(1h)-quinazolinone, 2-amino-6-(((4-nitrophenyl)-2-propynylamino)methyl)-
- pd 130883
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CAS Number(s) |
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InChIKey |
MNUZJESDLXCPRG-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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