Basic information
- CAS
311765-26-1- Standard SMILES
Cc1c(Cl)cccc1N1C(N)=C(C#N)C(c2cc(Br)cs2)C2=C1CCCC2=O- InChIKey
OKDUDEQFLMUBGP-UHFFFAOYSA-N- Molecular formula
- C21H17BrClN3OS
- Average molar mass
- 474.8 g/mol
- Monoisotopic mass
- 472.99642
Names & identifiers
- Preferred name
- 2-Amino-4-(4-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- IUPAC
- 2-amino-4-(4-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
- English name
- 2-amino-4-(4-bromothien-2-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
- Molecular formula
- C21H17BrClN3OS
- Molecular weight
- 474.80118
Names & synonyms
2-amino-4-(4-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile2-amino-4-(4-bromo-2-thienyl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile2-amino-4-(4-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileSTK755552AKOS001719040AKOS022013715ST4029860AG-205/36869041SR-01000515833SR-01000515833-12-amino-4-(4-bromothien-2-yl)-1-(3-chloro-2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Database identifiers
- CAS
311765-26-1- PubChem CID
- 3696648
- EC Number
- 133-222-2
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 788
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…