Basic information
- CAS
164662-48-0- Standard SMILES
Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(C)NC(C)C4)cc32)c(C)c1- InChIKey
XTITXBINAHKLTQ-UHFFFAOYSA-N- Molecular formula
- C24H26FN3O3
- Average molar mass
- 423.5 g/mol
- Monoisotopic mass
- 423.19581986
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 1-(2,4-dimethylphenyl)-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-
- IUPAC
- 1-(2,4-dimethylphenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Names & synonyms
PD160352PD 160352164662-48-03-Quinolinecarboxylic acid, 1-(2,4-dimethylphenyl)-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-CHEMBL101627DTXSID009369711-(2,4-Dimethylphenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-(2,4-dimethylphenyl)-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid
Database identifiers
- CAS
164662-48-0- PubChem CID
- 464883
- DTXSID
DTXSID00936971- ChEMBL
CHEMBL101627- Nikkaji
- J685.691H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 734
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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