2-Amino-1-(4-bromophenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Basic information
- CAS
311332-83-9- Standard SMILES
N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)C1c1ccsc1- InChIKey
KLJMWDRMDJPLKQ-UHFFFAOYSA-N- Molecular formula
- C20H16BrN3OS
- Average molar mass
- 426.3 g/mol
- Monoisotopic mass
- 425.01975
Names & identifiers
- Preferred name
- 2-Amino-1-(4-bromophenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-1-(4-bromophenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- 2-amino-1-(4-bromophenyl)-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- Molecular formula
- C20H16BrN3OS
- Molecular weight
- 426.32954
Names & synonyms
2-amino-1-(4-bromophenyl)-5-oxo-4-(3-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile2-amino-1-(4-bromophenyl)-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile2-amino-1-(4-bromophenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileHTS20013STK754048AKOS001705219AKOS022013019AG-205/36729051SR-01000513830SR-01000513830-1
Database identifiers
- CAS
311332-83-9- PubChem CID
- 3668697
- EC Number
- 133-256-8
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 714
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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