Basic information
- Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN4CCC3C4)nc21- InChIKey
ISAQBIWYAQHPKI-UHFFFAOYSA-N- Molecular formula
- C17H19FN4O3
- Average molar mass
- 346.36 g/mol
- Monoisotopic mass
- 346.14411864
Names & identifiers
- Preferred name
- 7-(1,4-Diazabicyclo[3.2.1]octan-4-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
- IUPAC
- 7-(1,4-diazabicyclo[3.2.1]octan-4-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Names & synonyms
PD 121054SCHEMBL9670611ISAQBIWYAQHPKI-UHFFFAOYSA-N7-(1,4-diazabicyclo[3.2.1]octan-4-yl)-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid1-Ethyl-7-(1,4-diazabicyclo[3.2.1]oct-4-yl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid7-(1,4-Diaza-bicyclo[3.2.1]oct-4-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
Database identifiers
- PubChem CID
- 465452
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 613
Related reactions
2 records
Compound notes
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