Basic information
- CAS
280112-27-8- Standard SMILES
CCCCCCn1c(=O)c(C(=O)Nc2ncc(C)s2)c(O)c2ccccc21- InChIKey
DSPXQODZBNZYIN-UHFFFAOYSA-N- Molecular formula
- C20H23N3O3S
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.14601278
Names & identifiers
- Preferred name
- 1-hexyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
- IUPAC
- 1-hexyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoquinoline-3-carboxamide
- English name
- 1-hexyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
- Molecular formula
- C20H23N3O3S
- Molecular weight
- 385.48
Names & synonyms
STK049051STL559499AKOS000624394AKOS0375165231-hexyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1,2-dihydro-3-quinolinecarboxamideST50003046AG-690/36956124(1-hexyl-4-hydroxy-2-oxo(3-hydroquinolyl))-N-(5-methyl(1,3-thiazol-2-yl))carbo xamide1-hexyl-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide1-hexyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide1-hexyl-4-hydroxy-N-(5-methylthiazol-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide3-Quinolinecarboxamide, 1-hexyl-1,2-dihydro-4-hydroxy-N-(5-methyl-2-thiazolyl)-2-oxo-
Database identifiers
- CAS
280112-27-8- PubChem CID
- 54680124
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 595
Physicochemical properties
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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