Basic information
- CAS
311795-10-5- Standard SMILES
CCOC(=O)C1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)C1c1ccc(F)cc1- InChIKey
FLDOWISORVTVDN-UHFFFAOYSA-N- Molecular formula
- C25H22F4N2O3
- Average molar mass
- 474.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- IUPAC
- ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carboxylate
- English name
- ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- Molecular formula
- C25H22F4N2O3
- Molecular weight
- 474.4473928
Names & synonyms
ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateSTK756534AKOS001732739ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carboxylateEU-0018181AG-205/36957047SR-01000517355SR-01000517355-1ethyl 2-amino-4-(4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Database identifiers
- CAS
311795-10-5
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 874
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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