Basic information
- CAS
376645-78-2- Standard SMILES
CC(=O)Oc1c(C)c(C)nc2c(F)cc(C(C)(C)C)cc12- InChIKey
LWLJEQHTPVPKSJ-UHFFFAOYSA-N- Molecular formula
- C17H20FNO2
- Average molar mass
- 289.34 g/mol
- Monoisotopic mass
- 289.14780704
Overview
Tebufloquin is a member of the class of quinolines that is quinoline which is substituted at positions 2 and 3 by methyl groups and at positions 4, 6, and 8 by acetoxy, tert-butyl, and fluorine, respectively. A fungicide developed mainly for the control of rice blast (Magnaporthe grisea), it has also been found to be effective against fungal diseases in soya beans and tomatoes. It has a role as an antifungal agrochemical. It is a member of quinolines, an organofluorine compound and an acetate ester.
Names & identifiers
- Preferred name
- Tebufloquin
- IUPAC
- (6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) acetate
- English name
- tebufloquin
- Molecular formula
- C17H20FNO2
- Molecular weight
- 289.3446032
Names & synonyms
tebufloquin376645-78-2Isobutyl ethoxyquinTebufloquin [ISO]5AP2NJ4FD86-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl acetateCHEBI:83266DTXSID7010203816-tert-Butyl-8-fluoro-2,3-dimethyl-4-quinolyl acetate6-(1,1-Dimethylethyl)-8-fluoro-2,3-dimethyl-4-quinolinyl acetate4-Quinolinol, 6-(1,1-dimethylethyl)-8-fluoro-2,3-dimethyl-, 4-acetate4-Quinolinol, 6-(1,1-dimethylethyl)-8-fluoro-2,3-dimethyl-, acetate (ester)
Show more names
Tebufloquin Standard
RefChem:187655DTXCID801478127(6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) acetateUNII-5AP2NJ4FD8SCHEMBL164293SCHEMBL30069495LWLJEQHTPVPKSJ-UHFFFAOYSA-N6-(tert-Butyl)-8-fluoro-2,3-dimethylquinolin-4-yl acetate
Database identifiers
- CAS
376645-78-2- PubChem CID
- 11629002
- DTXSID
DTXSID701020381
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- FDA UNII
- 5 AP2NJ4FD8 · 5AP2NJ4FD8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesTebufloquin is a fungicide used in the preparation of new quinoline derivatives against Pyricularia oryae and Erysiphe cichoracearum.
Suppliers8 total
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
四川义研药物研究有限公司19949968070; 19949968070 · [email protected]
上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
上海楷森生物科技有限公司17558870519 · [email protected]
Additional notes
DefinitionChEBI: Tebufloquin is a member of the class of quinolines that is quinoline which is substituted at positions 2 and 3 by methyl groups and at positions 4, 6, and 8 by acetoxy, tert-butyl, and fluorine, respectively. A fungicide developed mainly for the control of rice blast (Magnaporthe grisea), it has also been found to be effective against fungal diseases in soya beans and tomatoes. It has a role as an antifungal agrochemical. It is a member of quinolines, an organofluorine compound and an acetate ester.
Related reactions
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Compound notes
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