Basic information
- CAS
663938-44-1- Standard SMILES
O=C(NC(=S)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)c1ccc(Cl)cc1- InChIKey
WLNHZGUFSYARDD-UHFFFAOYSA-N- Molecular formula
- C25H22ClFN4O4S
- Average molar mass
- 529 g/mol
Names & identifiers
- Preferred name
- 7-[4-[(4-Chlorobenzoyl)carbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
- IUPAC
- 7-[4-[(4-chlorobenzoyl)carbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylic acid, 7-[4-[[(4-chlorobenzoyl)aMino]thioxoMethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
- Molecular formula
- C25H22ClFN4O4S
- Molecular weight
- 528.98
Names & synonyms
SCHEMBL6720827STK769923AKOS0017367837-(4-((4-chlorobenzoyl)carbamothioyl)piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-(4-{[(4-chlorophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-(4-{[(4-CHLOROPHENYL)FORMAMIDO]METHANETHIOYL}PIPERAZIN-1-YL)-1-CYCLOPROPYL-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID7-[4-[(4-chlorobenzoyl)carbamothioyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acidReaxys ID: 190606233-Quinolinecarboxylic acid, 7-[4-[[(4-chlorobenzoyl)aMino]thioxoMethyl]-1-piperazinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
Database identifiers
- CAS
663938-44-1
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 946
Chemistry & industry
Suppliers1 total
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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