ethyl 6-fluoro-1-methyl-4-oxo-7-[4-(2-pyrimidinyl)piperazin-1-yl]-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCOC(=O)c1c2n(c3cc(N4CCN(c5ncccn5)CC4)c(F)cc3c1=O)C(C)S2- InChIKey
JDRRMGKOSRHYGR-UHFFFAOYSA-N- Molecular formula
- C22H22FN5O3S
- Average molar mass
- 455.5 g/mol
Names & identifiers
- Preferred name
- ethyl 6-fluoro-1-methyl-4-oxo-7-[4-(2-pyrimidinyl)piperazin-1-yl]-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
- IUPAC
- ethyl 6-fluoro-1-methyl-4-oxo-7-(4-pyrimidin-2-ylpiperazin-1-yl)-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
Names & synonyms
SCHEMBL8733634JDRRMGKOSRHYGR-UHFFFAOYSA-Nethyl 6-fluoro-1-methyl-4-oxo-7-[4-(2-pyrimidinyl)piperazin-1-yl]-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
Database identifiers
- PubChem CID
- 21473341
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 784
Related reactions
2 records
Compound notes
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