AC1MVSQD
2-amino-1-(3-nitrophenyl)-5-oxo-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: AK-968/15359663|2-amino-1-(3-nitrophenyl)-5-oxo-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile|2-amino-1-(3-nitrophenyl)-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|2-amino-1-{3-nitrophenyl}-5-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C23H17F3N4O3 |
|---|---|
| Molecular Weight | 454.12527 g/mol |
| LogP | 4.91838 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.12527 |
| Monoisotopic Mass | 454.12527 |
| Heavy Atoms | 33 |
| Complexity | 1256.9481 |
Chemical Identifiers
| CAS Number | 445288-86-8 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)[N+](=O)[O-])N)C#N)C4=CC=C(C=C4)C(F)(F)F)C(=O)C1 |
Product Overview
AC1MVSQD (CAS 445288-86-8), with molecular formula C23H17F3N4O3 and molecular weight 454.12527 g/mol. IUPAC: 2-amino-1-(3-nitrophenyl)-5-oxo-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
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