[6-(2-Fluoro-phenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yloxy]-acetic acid
Basic information
- Standard SMILES
O=C(O)COc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3- InChIKey
FPKJUXUMRDPFFP-UHFFFAOYSA-N- Molecular formula
- C18H12FNO5
- Average molar mass
- 341.3 g/mol
- Monoisotopic mass
- 341.06995065
Names & identifiers
- Preferred name
- [6-(2-Fluoro-phenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yloxy]-acetic acid
- IUPAC
- 2-[[6-(2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yl]oxy]acetic acid
Names & synonyms
CHEMBL338626NSC683477BDBM50106306NSC-683477NCI60_029918[6-(2-Fluoro-phenyl)-[1,3]dioxolo[4,5-g]quinolin-8-yloxy]-acetic acid
Database identifiers
- PubChem CID
- 388494
- ChEMBL
CHEMBL338626- Nikkaji
- J1.678.121E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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