7-(3,5-Dimethyl-1-piperazinyl)-6-fluoro-1-(5-(4-methyl-1-piperazinyl)-2-pyridinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
Basic information
- Standard SMILES
CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(N3CCN(C)CC3)cn2)CC(C)N1- InChIKey
YBKKWAYASIEQIJ-UHFFFAOYSA-N- Molecular formula
- C26H31FN6O3
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.24416703
Names & identifiers
- Preferred name
- 7-(3,5-Dimethyl-1-piperazinyl)-6-fluoro-1-(5-(4-methyl-1-piperazinyl)-2-pyridinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
- IUPAC
- 7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxoquinoline-3-carboxylic acid
Names & synonyms
NSC674549CHEMBL1974756NSC-6745497-(3,5-Dimethyl-1-piperazinyl)-6-fluoro-1-(5-(4-methyl-1-piperazinyl)-2-pyridinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acidNCI60_026399{1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-7-(3,5-di} methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-7-(3,4-dihydro-4-oxoquinoline-3-carboxylic acid7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-1-[5-(4-methylpiperazin-1-yl)-2-pyridyl]-4-oxo-quinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 384541
- ChEMBL
CHEMBL1974756
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 855
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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