1-[1-(2-Furylmethyl)-2,5-dimethyl-1H-pyrrol-3-YL]-2-[(5-methyl[1,2,4]triazolo[4,3-A]quinolin-1-YL)sulfanyl]ethanone
Basic information
- CAS
379244-69-6- Standard SMILES
Cc1cc2nnc(SCC(=O)c3cc(C)n(Cc4ccco4)c3C)n2c2ccccc12- InChIKey
WFQNTVKEFFCTGQ-UHFFFAOYSA-N- Molecular formula
- C24H22N4O2S
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.14634713
Names & identifiers
- Preferred name
- 1-[1-(2-Furylmethyl)-2,5-dimethyl-1H-pyrrol-3-YL]-2-[(5-methyl[1,2,4]triazolo[4,3-A]quinolin-1-YL)sulfanyl]ethanone
- IUPAC
- 1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
- English name
- 1-[1-(2-Furylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
- Molecular formula
- C24H22N4O2S
- Molecular weight
- 430.52
Names & synonyms
379244-69-61-[1-(2-FURYLMETHYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]-2-[(5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-YL)SULFANYL]ETHANONEEthanone, 1-[1-(2-furanylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-Oprea1_320886DTXSID301107232AKOS001054089ST50051425AE-641/41201808Z202399571-[1-(2-Furanylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]ethanone1-[1-(2-furylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(5-methyl(10-hydro-1,2,4-triaz olo[4,3-a]quinolinylthio))ethan-1-one
Database identifiers
- CAS
379244-69-6- PubChem CID
- 982833
- DTXSID
DTXSID301107232
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 651
Physicochemical properties
- Density
- 1.334 · 1.334±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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