Basic information
- Standard SMILES
CCOC(=O)c1cn(C2CC2)c2c(F)c(N3CCNC(C)C3)c(F)c(N)c2c1=O- InChIKey
XCZVUYHYUDYNCI-UHFFFAOYSA-N- Molecular formula
- C20H24F2N4O3
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.18164696
Names & identifiers
- Preferred name
- Ethyl 5-amino-1-cyclopropyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylate
- IUPAC
- ethyl 5-amino-1-cyclopropyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
Names & synonyms
SCHEMBL9875651XCZVUYHYUDYNCI-UHFFFAOYSA-Nethyl 5-amino-1-cyclopropyl-6,8-difluoro-7-(3-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylate
Database identifiers
- PubChem CID
- 14370076
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 701
Related reactions
1 records
Compound notes
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