Basic information
- Standard SMILES
CCOC(=O)c1cn(NCC=O)c2cc(-n3cccc3)c(F)cc2c1=O- InChIKey
YMWTUINTPXTRCP-UHFFFAOYSA-N- Molecular formula
- C18H16FN3O4
- Average molar mass
- 357.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-fluoro-7-(pyrrol-1-yl)-1-formylmethylamino-4-oxo-1,4-dihydroquinoline-3-carboxylate
- IUPAC
- ethyl 6-fluoro-4-oxo-1-(2-oxoethylamino)-7-pyrrol-1-ylquinoline-3-carboxylate
Names & synonyms
SCHEMBL10671583YMWTUINTPXTRCP-UHFFFAOYSA-Nethyl 6-fluoro-7-(pyrrol-1-yl)-1-formylmethylamino-4-oxo-1,4-dihydroquinoline-3-carboxylate
Database identifiers
- PubChem CID
- 20151469
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 591
Related reactions
2 records
Compound notes
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