Basic information
- CAS
1054130-85-6- Standard SMILES
O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)COc4ccc(F)cc4)CC3)c(F)cc2c1=O- InChIKey
IZGXPQQKIFQITK-UHFFFAOYSA-N- Molecular formula
- C25H23F2N3O5
- Average molar mass
- 483.5 g/mol
- Monoisotopic mass
- 483.16057717
Names & identifiers
- Preferred name
- CID 45434686
- IUPAC
- 1-cyclopropyl-6-fluoro-7-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-7-[4-[2-(4-fluorophenoxy)acetyl]-1-piperazinyl]-1,4-dihydro-4-oxo-
- Molecular formula
- C25H23F2N3O5
- Molecular weight
- 483.46
Names & synonyms
1-Cyclopropyl-6-fluoro-7-[4-[2-(4-fluorophenoxy)acetyl]-1-piperazinyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid1-Cyclopropyl-6-fluoro-7-[4-[2-(4-fluorophenoxy)-acetyl]piperazin-1-yl]-1,4-dihydro-4-oxo-quinolin-3-carboxylic acid3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-7-[4-[2-(4-fluorophenoxy)acetyl]-1-piperazinyl]-1,4-dihydro-4-oxo-
Database identifiers
- CAS
1054130-85-6- PubChem CID
- 45434686
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 865
Physicochemical properties
- Boiling point
- 745.1 · 745.1±60.0 °C(Predicted)
- Density
- 1.484 · 1.484±0.06 g/cm3(Predicted)
- pka
- 6.44 · 6.44±0.41(Predicted)
Chemistry & industry
Suppliers1 total
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…