Basic information
- CAS
356077-62-8- Standard SMILES
COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3cccc(Cl)c3n2)cc1- InChIKey
YRCOWUCLOHYMIV-UHFFFAOYSA-N- Molecular formula
- C25H17ClFNO4
- Average molar mass
- 449.9 g/mol
- Monoisotopic mass
- 449.0830139
Names & identifiers
- Preferred name
- 2-(4-Fluorophenyl)-2-oxoethyl 8-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate
- IUPAC
- [2-(4-fluorophenyl)-2-oxoethyl] 8-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylate
- English name
- 2-(4-fluorophenyl)-2-oxoethyl 8-chloro-2-(4-methoxyphenyl)-4-quinolinecarboxylate
- Molecular formula
- C25H17ClFNO4
- Molecular weight
- 449.8581832
Names & synonyms
2-(4-fluorophenyl)-2-oxoethyl 8-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylateOprea1_429474AK-918/41613076STK275351AKOS001695546[2-(4-fluorophenyl)-2-oxoethyl] 8-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylateEU-0082546ST508553942-(4-fluorophenyl)-2-oxoethyl 8-chloro-2-(4-methoxyphenyl)-4-quinolinecarboxylate2-(4-fluorophenyl)-2-oxoethyl 8-chloro-2-(4-methoxyphenyl)quinoline-4-carboxyl ate
Database identifiers
- CAS
356077-62-8- PubChem CID
- 1218275
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 648
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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