AC1MDYGY
2-amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: ChemDiv1_011017|Oprea1_249060|HMS618E17|2-amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|AG-205/36733017|2-amino-4-(3,4-dimethoxyphenyl)-1-{4-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile|A1156/0054078|SR-01000513723-1|2-amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile|2-amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile|647-867-7
| Molecular Formula | C24H22N4O5 |
|---|---|
| Molecular Weight | 446.15903 g/mol |
| LogP | 3.91678 |
| Topological Polar Surface Area | 131.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.15903 |
| Monoisotopic Mass | 446.15903 |
| Heavy Atoms | 33 |
| Complexity | 1240.4912 |
Chemical Identifiers
| CAS Number | 311331-82-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)[N+](=O)[O-])N)C#N)OC |
Product Overview
AC1MDYGY (CAS 311331-82-5), with molecular formula C24H22N4O5 and molecular weight 446.15903 g/mol. IUPAC: 2-amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.