(R-(R,R))-1-Cyclopropyl-7-(3-(1-(ethylamino)ethyl)-1-pyrrolidinyl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
Basic information
- CAS
143382-95-0- Standard SMILES
CCN[C@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1- InChIKey
XJGDTVIRKPYDHZ-CHWSQXEVSA-N- Molecular formula
- C22H28FN3O4
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.20638455
Names & identifiers
- Preferred name
- (R-(R,R))-1-Cyclopropyl-7-(3-(1-(ethylamino)ethyl)-1-pyrrolidinyl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid
- IUPAC
- 1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Names & synonyms
143382-95-0(R-(R,R))-1-Cyclopropyl-7-(3-(1-(ethylamino)ethyl)-1-pyrrolidinyl)-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-7-(3-(1-(ethylamino)ethyl)-1-pyrrolidinyl)-6-fluoro-8-methoxy-4-oxo-, (R-(R*,R*))-SCHEMBL8329382CHEMBL2110324DTXSID309318531-cyclopropyl-7-{(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl}-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-Cyclopropyl-7-{3-[1-(ethylamino)ethyl]pyrrolidin-1-yl}-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
143382-95-0- PubChem CID
- 197327
- DTXSID
DTXSID30931853- ChEMBL
CHEMBL2110324- Nikkaji
- J522.287G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 712
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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