1-Ethyl-6-fluoro-3-formyl-1,4-dihydro-4-oxo-7-piperazinylquinoline
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Basic information
- CAS
110719-56-7- Standard SMILES
CCn1cc(C=O)c(=O)c2cc(F)c(N3CCNCC3)cc21- InChIKey
WZGKLDAQBCEGIR-UHFFFAOYSA-N- Molecular formula
- C16H18FN3O2
- Average molar mass
- 303.33 g/mol
- Monoisotopic mass
- 303.13830499
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- 1-Ethyl-6-fluoro-3-formyl-1,4-dihydro-4-oxo-7-piperazinylquinoline
- IUPAC
- 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carbaldehyde
- English name
- 1-ethyl-6-fluoro-3-formyl-1,4-dihydro-4-oxo-7-piperazinylquinoline
- Molecular formula
- C16H18FN3O2
- Molecular weight
- 303.33
Names & synonyms
110719-56-71-Effopq1-Ethyl-6-fluoro-3-formyl-1,4-dihydro-4-oxo-7-piperazinylquinolineDTXSID30149370RefChem:75761DTXCID20718611-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carbaldehyde1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carbaldehydeCHEMBL73577SCHEMBL13576340SCHEMBL297241043-Quinolinecarboxaldehyde, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
Database identifiers
- CAS
110719-56-7- PubChem CID
- 194872
- DTXSID
DTXSID30149370- ChEMBL
CHEMBL73577
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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