Basic information
- Standard SMILES
O=C(O)c1cn(C2CC2)c2c(F)c(N3CC(n4ccnn4)C3)c(F)cc2c1=O- InChIKey
SZWPBJPRRXOHOM-UHFFFAOYSA-N- Molecular formula
- C18H15F2N5O3
- Average molar mass
- 387.3 g/mol
Names & identifiers
- Preferred name
- 1-Cyclopropyl-6,8-difluoro-7-[3-(1,2,3-triazol-1-yl) azetidin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
- IUPAC
- 1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-(triazol-1-yl)azetidin-1-yl]quinoline-3-carboxylic acid
Names & synonyms
SCHEMBL9293080SZWPBJPRRXOHOM-UHFFFAOYSA-N1-Cyclopropyl-6,8-difluoro-7-[3-(1,2,3-triazol-1-yl) azetidin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 54333353
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 711
Related reactions
2 records
Compound notes
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