Formula |
C20H19N4O2S+ |
IUPAC Name |
1-methyl-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]-1h-quinolin-1-ium-3-carbonitrile |
Molecular Mass |
379.455 g·mol−1 |
Heat of Formation |
105.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.40 ± 1.08 D |
Volume |
433.27 Å 3 |
Surface Area |
362.08 Å 2 |
HOMO Energy |
-9.03 ± 0.55 eV |
LUMO Energy |
1.73 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-methyl-2-oxo-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile
- 1-methyl-2-oxo-4-[4-[oxo-(2-thienyl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile
- 2-keto-1-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
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InChIKey |
GGGJOEPOPVIHEK-UHFFFAOYSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
S
O
N
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