Basic information
- CAS
444924-52-1- Standard SMILES
CCOc1ccc(C2C(C#N)=C(N)N(c3ccc(Cl)c([N+](=O)[O-])c3)C3=C2C(=O)CC(c2ccccc2)C3)cc1- InChIKey
OSPNVJTWSKVMLI-UHFFFAOYSA-N- Molecular formula
- C30H25ClN4O4
- Average molar mass
- 541 g/mol
Names & identifiers
- Preferred name
- 2-Amino-1-(4-chloro-3-nitrophenyl)-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-1-(4-chloro-3-nitrophenyl)-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- 2-amino-1-{4-chloro-3-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C30H25ClN4O4
- Molecular weight
- 540.9969
Names & synonyms
2-amino-1-(4-chloro-3-nitrophenyl)-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile2-AMINO-1-(4-CHLORO-3-NITROPHENYL)-4-(4-ETHOXYPHENYL)-5-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE2-amino-1-{4-chloro-3-nitrophenyl}-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrileAK-968/15603471STL174865AKOS0037944962-amino-1-(4-chloro-3-nitrophenyl)-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Database identifiers
- CAS
444924-52-1
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,060
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…