Ethyl 1-(3-tert-butoxycarbonylamino-4,6-difluorophenyl)-6,7-difluoro-5,8-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Basic information
- Standard SMILES
CCOC(=O)c1cn(-c2cc(NC(=O)OC(C)(C)C)c(F)cc2F)c2c(C)c(F)c(F)c(C)c2c1=O- InChIKey
GNLLVOYVDFLGLL-UHFFFAOYSA-N- Molecular formula
- C25H24F4N2O5
- Average molar mass
- 508.5 g/mol
- Monoisotopic mass
- 508.16213452
Names & identifiers
- Preferred name
- Ethyl 1-(3-tert-butoxycarbonylamino-4,6-difluorophenyl)-6,7-difluoro-5,8-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
- IUPAC
- ethyl 1-[2,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-6,7-difluoro-5,8-dimethyl-4-oxoquinoline-3-carboxylate
Names & synonyms
SCHEMBL6581466GNLLVOYVDFLGLL-UHFFFAOYSA-Nethyl 1-(3-tert-butoxycarbonylamino-4,6-difluorophenyl)-6,7-difluoro-5,8-dimethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Database identifiers
- PubChem CID
- 22011365
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 894
Related reactions
1 records
Compound notes
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