Molecule ID: 11057771

IUPAC Name: 6-iodo-2-propoxy-3-propylquinazolin-4-one

Description: The molecule is a member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 3 and 6 by propoxy, propyl and iodo groups respectively. A fungicide with the potential to control powdery mildew in a range of crops including cereals and grapes. It has a role as an antifungal agrochemical. It is a member of quinazolines, an organoiodine compound and an aromatic ether.

SMILES: CCCOc1nc2ccc(I)cc2c(=O)n1CCC

SELFIES: [C][C][C][O][C][=N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][C][C]

InChI: InChI=1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 41.9 Ų
- LogP: 3.7