HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Amino-1-(3,4-dichlorophenyl)-4-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
2-amino-1-(3,4-dichlorophenyl)-4-[3-({2-nitrophenoxy}methyl)-4-methoxyphenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
![2-Amino-1-(3,4-dichlorophenyl)-4-[4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile molecular structure](/img/chemical/178819814.png)
Identifiers & Physical Properties
| CAS No. | 445243-91-4 |
|---|---|
| Molecular formula | C30H24Cl2N4O5 |
| Average molar mass | 591.4 g/mol |
| SMILES | COc1ccc(C2C(C#N)=C(N)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CCC3)cc1COc1ccccc1[N+](=O)[O-] |
| InChIKey | XZHCRZUPGFZBCG-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 6.2 |
|---|---|
| Topological polar surface area | 134 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 6 |
| Heavy atoms | 41 |
| Formal charge | 0 |
| Complexity | 1,130 |