3-Quinolinecarboxylic acid, 8-bromo-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-
Basic information
- CAS
104456-05-5- Standard SMILES
CNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Br)C1- InChIKey
GSKPQEGYUOKWAR-UHFFFAOYSA-N- Molecular formula
- C19H21BrFN3O3
- Average molar mass
- 438.3 g/mol
- Monoisotopic mass
- 437.07503
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 8-bromo-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-
- IUPAC
- 8-bromo-1-cyclopropyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
Names & synonyms
104456-05-5PD1634518-Bromo-1-cyclopropyl-6-fluoro-7-(3-((methylamino)methyl)pyrrolidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 8-bromo-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-8-Bromo-1-cyclopropyl-6-fluoro-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 8-bromo-1-cyclopropyl-6-fluoro-1,4-dihydro-7-[3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-SCHEMBL10529369DTXSID509089868-bromo-1-cyclopropyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid
Database identifiers
- CAS
104456-05-5- PubChem CID
- 465575
- DTXSID
DTXSID50908986- Nikkaji
- J772.221D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 656
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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