2-Amino-4-(2,3-dichlorophenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
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Basic information
- CAS
445021-91-0- Standard SMILES
N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)C1c1cccc(Cl)c1Cl- InChIKey
MMDNZVYTAFEAFT-UHFFFAOYSA-N- Molecular formula
- C22H16Cl2N4O3
- Average molar mass
- 455.3 g/mol
- Monoisotopic mass
- 454.0599458
Names & identifiers
- Preferred name
- 2-Amino-4-(2,3-dichlorophenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-4-(2,3-dichlorophenyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- 2-amino-4-(2,3-dichlorophenyl)-1-{4-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C22H16Cl2N4O3
- Molecular weight
- 455.29344
Names & synonyms
2-amino-4-(2,3-dichlorophenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile2-amino-4-(2,3-dichlorophenyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrileAK-968/40734011STK960359AKOS0056780572-amino-4-(2,3-dichlorophenyl)-1-{4-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile445021-91-0
Database identifiers
- CAS
445021-91-0- PubChem CID
- 11838250
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 879
Related reactions
0 records
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Compound notes
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