tebufloquin

CHEBI:83266 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

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. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:26513 CHEBI:26513
CHEBI:37143 CHEBI:37143
CHEBI:47622 CHEBI:47622

Chemical structure

Computed structure properties
Molecular formula	C17H20FNO2
Charge	0
Average mass	289.35 Da
Monoisotopic mass	289.14781 Da
Source	ChEBI
InChIKey	LWLJEQHTPVPKSJ-UHFFFAOYSA-N

SMILES

CC(=O)Oc1c(C)c(C)nc2c(F)cc(C(C)(C)C)cc12

InChI

InChI=1S/C17H20FNO2/c1-9-10(2)19-15-13(16(9)21-11(3)20)7-12(8-14(15)18)17(4,5)6/h7-8H,1-6H3

Also called

6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl acetate (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:376645-78-2
pesticides:tebufloquin
ppdb:1658
reaxys:11342129

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:86328 CHEBI:86328

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:83266`	tebufloquin	`antibioticmech:chebi-453c5f39dc`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.