7-Fluoro-1-methyl-8-[4-[3-(methylsulfanylmethyl)phenyl]piperazin-1-yl]-4-oxo-benzo[b][1,8]naphthyridine-3-carboxylic acid
Basic information
- Standard SMILES
CSCc1cccc(N2CCN(c3cc4nc5c(cc4cc3F)c(=O)c(C(=O)O)cn5C)CC2)c1- InChIKey
ONEKTTMOORPBGY-UHFFFAOYSA-N- Molecular formula
- C26H25FN4O3S
- Average molar mass
- 492.6 g/mol
- Monoisotopic mass
- 492.16314001
Names & identifiers
- Preferred name
- 7-Fluoro-1-methyl-8-[4-[3-(methylsulfanylmethyl)phenyl]piperazin-1-yl]-4-oxo-benzo[b][1,8]naphthyridine-3-carboxylic acid
- IUPAC
- 7-fluoro-1-methyl-8-[4-[3-(methylsulfanylmethyl)phenyl]piperazin-1-yl]-4-oxobenzo[b][1,8]naphthyridine-3-carboxylic acid
Names & synonyms
CHEMBL170945SCHEMBL7228493ONEKTTMOORPBGY-UHFFFAOYSA-N7-fluoro-1-methyl-8-[4-[3-(methylsulfanylmethyl)phenyl]piperazin-1-yl]-4-oxo-benzo[b][1,8]naphthyridine-3-carboxylic acid7-fluoro-1-methyl-8-[4-[3-(methylsulphanylmethyl)phenyl]piperazin-1-yl]-4-oxo-1,4-dihydrobenzo-[b][1,8]naphthyridine-3-carboxylic acid7-Fluoro-1-methyl-8-{4-[3-(methylthiomethyl)phenyl]piperazinyl}-4-oxohydropyridino[2,3-b]quinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 484069
- ChEMBL
CHEMBL170945- Nikkaji
- J1.518.533C
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 835
Related reactions
2 records
Compound notes
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