1-Tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Basic information
- CAS
125197-41-3- Standard SMILES
CN1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)CC1- InChIKey
MXSNCHPXNXHHGK-UHFFFAOYSA-N- Molecular formula
- C18H23FN4O3
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.17541877
Names & identifiers
- Preferred name
- 1-Tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
- IUPAC
- 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Names & synonyms
1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acidCHEMBL25808DTXSID101107993125197-41-31,8-Naphthyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-1-(1,1-Dimethylethyl)-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Database identifiers
- CAS
125197-41-3- PubChem CID
- 488379
- DTXSID
DTXSID101107993- ChEMBL
CHEMBL25808
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 610
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Compound notes
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