2-(4-Chlorophenyl)-2-oxoethyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
Basic information
- CAS
355824-94-1- Standard SMILES
O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Br)cc12)c1ccc(Cl)cc1- InChIKey
PEOLPNCDSMVWIQ-UHFFFAOYSA-N- Molecular formula
- C24H14BrCl2NO3
- Average molar mass
- 515.2 g/mol
- Monoisotopic mass
- 512.95341
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-oxoethyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
- IUPAC
- [2-(4-chlorophenyl)-2-oxoethyl] 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
- English name
- 2-(4-Chlorophenyl)-2-oxoethyl 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylate
- Molecular formula
- C24H14BrCl2NO3
- Molecular weight
- 515.18
Names & synonyms
Oprea1_621795STK274945AKOS0032602262-(4-chlorophenyl)-2-oxoethyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylateST508538062-(4-CHLOROPHENYL)-2-OXOETHYL 6-BROMO-2-(4-CHLOROPHENYL)-4-QUINOLINECARBOXYLATE2-(4-chlorophenyl)-2-oxoethyl 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylat e4-Quinolinecarboxylic acid, 6-bromo-2-(4-chlorophenyl)-, 2-(4-chlorophenyl)-2-oxoethyl ester
Database identifiers
- CAS
355824-94-1- PubChem CID
- 4637568
- EC Number
- 126-208-2
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 634
Physicochemical properties
- Boiling point
- 686.058 · 686.058±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.533 · 1.533±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.626 · 1.626±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…