2-Amino-1-(3-chloro-2-methylphenyl)-4-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Basic information
- CAS
311325-61-8- Standard SMILES
Cc1c(Cl)cccc1N1C(N)=C(C#N)C(c2ccc(Cl)cc2)C2=C1CCCC2=O- InChIKey
LTNFTJNMUKDULU-UHFFFAOYSA-N- Molecular formula
- C23H19Cl2N3O
- Average molar mass
- 424.3 g/mol
- Monoisotopic mass
- 423.0905176
Names & identifiers
- Preferred name
- 2-Amino-1-(3-chloro-2-methylphenyl)-4-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-1-(3-chloro-2-methylphenyl)-4-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- 2-amino-1-(3-chloro-2-methylphenyl)-4-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C23H19Cl2N3O
- Molecular weight
- 424.32246
Names & synonyms
2-amino-1-(3-chloro-2-methylphenyl)-4-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrileOprea1_1404182-amino-1-(3-chloro-2-methylphenyl)-4-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileSTK754902AKOS001720385AKOS0220141902-amino-1-(3-chloro-2-methylphenyl)-4-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrileST075658AG-205/36868031SR-01000515077SR-01000515077-12-amino-1-(3-chloro-2-methylphenyl)-4-(4-chlorophenyl)-5-oxo-1,4,6,7,8-pentahy droquinoline-3-carbonitrile
Database identifiers
- CAS
311325-61-8- PubChem CID
- 3522641
- EC Number
- 133-241-6
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 787
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