Basic information
- CAS
92242-25-6- Standard SMILES
C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(N)C3)nc21- InChIKey
BRXQDBJZPOBZTC-UHFFFAOYSA-N- Molecular formula
- C14H13FN4O3
- Average molar mass
- 304.28 g/mol
- Monoisotopic mass
- 304.09716845
Names & identifiers
- Preferred name
- 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-2-azetidinyl)-1-ethenyl-6-fluoro-4-oxo-
- IUPAC
- 7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Names & synonyms
92242-25-61,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-2-azetidinyl)-1-ethenyl-6-fluoro-4-oxo-RefChem:1053596BRN 5607657CHEMBL289750DTXSID209192817-(3-Aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
Database identifiers
- CAS
92242-25-6- PubChem CID
- 13402001
- DTXSID
DTXSID20919281- ChEMBL
CHEMBL289750
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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