Basic information
- Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3c(C(=O)O)c(C)nc(C)c3C(=O)O)cc21- InChIKey
JWKLMDFKGSDUAN-UHFFFAOYSA-N- Molecular formula
- C21H17FN2O7
- Average molar mass
- 428.4 g/mol
Names & identifiers
- Preferred name
- 7-(3,5-Dicarboxy-2,6-dimethyl-4-pyridinyl)-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
- IUPAC
- 4-(3-carboxy-1-ethyl-6-fluoro-4-oxoquinolin-7-yl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
Names & synonyms
SCHEMBL10727891JWKLMDFKGSDUAN-UHFFFAOYSA-N7-(3,5-dicarboxy-2,6-dimethyl-4-pyridinyl)-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
Database identifiers
- PubChem CID
- 20165343
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 790
Related reactions
2 records
Compound notes
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