Molecule ID: 11629002

IUPAC Name: (6-tert-butyl-8-fluoro-2,3-dimethylquinolin-4-yl) acetate

Description: The molecule 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.

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

SELFIES: [C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch1][C][C][=N][C][=C][Branch1][C][F][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][P][Ring1][O]

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

Molecular Properties:
- Polar Surface Area: 39.2 Ų
- LogP: 4.5