Basic information
- Standard SMILES
CCNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4nc(N)c(F)cc4F)c3c2Br)C1- InChIKey
KUPIYDHNVRWZKK-UHFFFAOYSA-N- Molecular formula
- C20H17BrF3N5O3
- Average molar mass
- 512.3 g/mol
Names & identifiers
- Preferred name
- 1-(6-Amino-3,5-difluoropyridin-2-yl)-8-bromo-7-(3-ethylaminoazetidin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-bromo-7-[3-(ethylamino)azetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
Names & synonyms
SCHEMBL2912243KUPIYDHNVRWZKK-UHFFFAOYSA-N1-(6-amino-3,5-difluoropyridin-2-yl)-8-bromo-7-(3-ethylaminoazetidin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 9958049
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 786
Related reactions
2 records
Compound notes
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