Basic information
- Standard SMILES
CCOC(=O)c1cn(-c2nc(NCc3ccc(OC)cc3)c(F)cc2F)c2c(Cl)c(F)c(F)cc2c1=O- InChIKey
GCBBQKDMXIPTDJ-UHFFFAOYSA-N- Molecular formula
- C25H18ClF4N3O4
- Average molar mass
- 535.9 g/mol
- Monoisotopic mass
- 535.0921964
Names & identifiers
- Preferred name
- Ethyl 8-chloro-1-[3,5-difluoro-6-(p-methoxybenzylamino)pyridin-2-yl]-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
- IUPAC
- ethyl 8-chloro-1-[3,5-difluoro-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-6,7-difluoro-4-oxoquinoline-3-carboxylate
Names & synonyms
SCHEMBL7171539GCBBQKDMXIPTDJ-UHFFFAOYSA-Nethyl 8-chloro-1-[3,5-difluoro-6-(p-methoxybenzylamino)pyridin-2-yl]-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Database identifiers
- PubChem CID
- 15434902
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 862
Related reactions
6 records
Compound notes
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