Basic information
- CAS
515121-50-3- Standard SMILES
N#CC1=C(N)N(c2cccc(Br)c2)C2=C(C(=O)CCC2)C1c1c(Cl)cccc1Cl- InChIKey
DJTLRUJXVUAJPM-UHFFFAOYSA-N- Molecular formula
- C22H16BrCl2N3O
- Average molar mass
- 489.2 g/mol
Names & identifiers
- Preferred name
- 2-Amino-1-(3-bromophenyl)-4-(2,6-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-1-(3-bromophenyl)-4-(2,6-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- 2-amino-1-(3-bromophenyl)-4-(2,6-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C22H16BrCl2N3O
- Molecular weight
- 489.19194
Names & synonyms
2-amino-1-(3-bromophenyl)-4-(2,6-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile2-amino-1-(3-bromophenyl)-4-(2,6-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrileOprea1_410415AK-968/40729545STL173008AKOS0037935202-amino-1-(3-bromophenyl)-4-(2,6-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile515121-50-3
Database identifiers
- CAS
515121-50-3
Properties
Computed structural properties
- XLogP
- 5.7
- 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
- 791
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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