ethyl 2-amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carboxylate
Basic information
- CAS
312289-67-1- Standard SMILES
CCOC(=O)C1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)C1c1cccs1- InChIKey
LDBZZANVYFOJNJ-UHFFFAOYSA-N- Molecular formula
- C24H25BrN2O3S
- Average molar mass
- 501.4 g/mol
- Monoisotopic mass
- 500.07693
Names & identifiers
- Preferred name
- ethyl 2-amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carboxylate
- IUPAC
- ethyl 2-amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carboxylate
- English name
- ethyl 2-amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- Molecular formula
- C24H25BrN2O3S
- Molecular weight
- 501.4359
Names & synonyms
ethyl 2-amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateethyl 2-amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carboxylateOprea1_339517ethyl 2-amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateSTK758170AKOS001734703AKOS022012419ST45379228AG-205/11444156SR-01000520209SR-01000520209-1
Database identifiers
- CAS
312289-67-1- PubChem CID
- 3868166
- EC Number
- 135-185-8
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 814
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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