AC1MSCPB
2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: Oprea1_262458|2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|AG-205/10455046|SR-01000513664-1|A1152/0053877|2-amino-1-{4-nitrophenyl}-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile|2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile|648-182-6
| Molecular Formula | C24H22N4O3 |
|---|---|
| Molecular Weight | 414.1692 g/mol |
| LogP | 4.53568 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.1692 |
| Monoisotopic Mass | 414.1692 |
| Heavy Atoms | 31 |
| Complexity | 1171.5552 |
Chemical Identifiers
| CAS Number | 311331-22-3 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)C4=CC=CC=C4)C(=O)C1)C |
Product Overview
AC1MSCPB (CAS 311331-22-3), with molecular formula C24H22N4O3 and molecular weight 414.1692 g/mol. IUPAC: 2-amino-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-4-phenyl-6,8-dihydro-4H-quinoline-3-carbonitrile.