6-Amino-1-tert-butyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid
Basic information
- CAS
304897-73-2- Standard SMILES
COc1ccccc1N1CCN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3C(C)(C)C)CC1- InChIKey
ZLCYVEAZTMESGW-UHFFFAOYSA-N- Molecular formula
- C25H30N4O4
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.22670545
Names & identifiers
- Preferred name
- 6-Amino-1-tert-butyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid
- IUPAC
- 6-amino-1-tert-butyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Names & synonyms
CHEMBL123557DTXSID2011076776-amino-1-tert-butyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid304897-73-26-Amino-1-(1,1-dimethylethyl)-1,4-dihydro-7-[4-(2-methoxyphenyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid6-Amino-1-(tert-butyl)-7-[4-(2-methoxyphenyl)piperazinyl]-4-oxohydroquinoline-3-carboxylic acid
Database identifiers
- CAS
304897-73-2- PubChem CID
- 481120
- DTXSID
DTXSID201107677- ChEMBL
CHEMBL123557- Nikkaji
- J1.431.819D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 771
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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