1-tert-Butyl-6-fluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
Basic information
- CAS
116163-02-1- Standard SMILES
CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)CCN1- InChIKey
ZMTUMOZDZAJLFA-UHFFFAOYSA-N- Molecular formula
- C19H24FN3O3
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.1801698
Names & identifiers
- Preferred name
- 1-tert-Butyl-6-fluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid
- IUPAC
- 1-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
- English name
- 1-tert-Butyl-6-fluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-qu inoline-3-carboxylic acid
- Molecular formula
- C19H24FN3O3
- Molecular weight
- 361.41
Names & synonyms
116163-02-1PD1613141-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acidPD 1613141-(tert-Butyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-tert-Butyl-6-fluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid1-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acidPD-161314CHEMBL15164SCHEMBL9685581DTXSID009219431-tert-Butyl-6-fluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-qu inoline-3-carboxylic acid
Show more names
3-Quinolinecarboxylic acid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-
1-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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