Molecular Identity
Fluquinconazole
3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one
PubChem CID: 86417
Fluquinconazole is a member of the class of quinazolines that is 6-fluoroquinazolin-4-one carrying additional 1,2,4-triazol-1-yl and 2,4-dichlorophenyl substituents at positions 2 and 3 respectively. A fungicide used to control Ascomycetes, Deuteromycetes and Basidiomycetes spp. on cereals, beets and fruit. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a dichlorobenzene, a member of triazoles, an organofluorine compound, a member of quinazolines, a conazole fungicide and a triazole fungicide.
2D Structure
Properties
C16H8Cl2FN5O
Molecular Formula
376.20
Molecular Weight
g/mol
375.0090
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
63.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
565
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC2=C(C=C1F)C(=O)N(C(=N2)N3C=NC=N3)C4=C(C=C(C=C4)Cl)ClIsomeric SMILES
SMILES: C1=CC2=C(C=C1F)C(=O)N(C(=N2)N3C=NC=N3)C4=C(C=C(C=C4)Cl)ClSynonyms(20)
Fluquinconazole136426-54-5CastellanJOCKEYVISTA0AE2N0JNI13-(2,4-Dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)-4(3H)-quinazolinone3-(2,4-dichlorophenyl)-6-fluoro-2-(1H-1,2,4-triazol-1-yl)quinazolin-4(3H)-oneDTXSID5057965CHEBI:83923SN-597265RefChem:599461DTXCID3031733411-960-9Fluquinconazole [ISO]
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Fluquinconazole
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