Basic information
- Standard SMILES
CCc1nc2c(Cl)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(C(=O)C(C)C)cc1- InChIKey
BHFTYALYXUOYML-UHFFFAOYSA-N- Molecular formula
- C26H26ClF2NO5
- Average molar mass
- 505.9 g/mol
Names & identifiers
- Preferred name
- [8-Chloro-4-difluoromethoxy-2-ethyl-3-(4-isobutyrylbenzyl)quinolin-5-yloxy]acetic acid methyl ester
- IUPAC
- methyl 2-[8-chloro-4-(difluoromethoxy)-2-ethyl-3-[[4-(2-methylpropanoyl)phenyl]methyl]quinolin-5-yl]oxyacetate
Names & synonyms
[8-chloro-4-difluoromethoxy-2-ethyl-3-(4-isobutyrylbenzyl)quinolin-5-yloxy]acetic acid methyl esterSCHEMBL2574622
Database identifiers
- PubChem CID
- 67458281
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 703
Related reactions
6 records
Compound notes
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