Basic information
- CAS
182868-35-5- Standard SMILES
CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Br)CCN1- InChIKey
ZBTVXBLYDBQQDF-UHFFFAOYSA-N- Molecular formula
- C18H19BrFN3O3
- Average molar mass
- 424.3 g/mol
- Monoisotopic mass
- 423.05938
Names & identifiers
- Preferred name
- 8-Bromo-1-cyclopropyl-6-fluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
- IUPAC
- 8-bromo-1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylic acid, 8-bromo-1-cyclopropyl-6-fluoro-1,4-dihydro -7-(3-methyl-1-piperazinyl)-4-oxo-
- Molecular formula
- C18H19BrFN3O3
- Molecular weight
- 0
Names & synonyms
182868-35-58-Bromo-1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acidPD1637538-bromo-1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acidPD 1637538-bromo-1-cyclopropyl-6-fluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acidPD-163753DTXSID909396383-Quinolinecarboxylic acid, 8-bromo-1-cyclopropyl-6-fluoro-1,4-dihydro -7-(3-methyl-1-piperazinyl)-43-Quinolinecarboxylic acid, 8-bromo-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-8-bromo-1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 8-bromo-1-cyclopropyl-6-fluoro-1,4-dihydro -7-(3-methyl-1-piperazinyl)-4-oxo-
Database identifiers
- CAS
182868-35-5- PubChem CID
- 459972
- DTXSID
DTXSID90939638
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 641
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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