Methyl 7-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate
Basic information
- CAS
1160239-62-2- Standard SMILES
CCn1cc(C(=O)OC)c(=O)c2cc(F)c(N3CCN(C(=O)C(C)(C)C)CC3)cc21- InChIKey
COGZMGDUJKXNRT-UHFFFAOYSA-N- Molecular formula
- C22H28FN3O4
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.20638455
Names & identifiers
- Preferred name
- Methyl 7-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate
- IUPAC
- methyl 7-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate
Names & synonyms
DTXSID7011082061160239-62-2Methyl 7-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate
Database identifiers
- CAS
1160239-62-2- PubChem CID
- 165367385
- DTXSID
DTXSID701108206
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 724
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Compound notes
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