7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one

C18H12F2N4O4 — CID 136535466

IUPAC7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]c(-c3nnc(-c4ccccc4)o3)nc2cc1OC(F)F
InChIInChI=1S/C18H12F2N4O4/c1-26-12-7-10-11(8-13(12)27-18(19)20)21-14(22-15(10)25)17-24-23-16(28-17)9-5-3-2-4-6-9/h2-8,18H,1H3,(H,21,22,25)
InChIKeyVOCFWAVKVSPRRR-UHFFFAOYSA-N
MW386.31 g/mol
LogP3.25
Rot. Bonds5

About 7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one

7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one (PubChem CID 136535466) has the molecular formula C18H12F2N4O4 and a molecular weight of 386.31 g/mol. Its IUPAC name is 7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one
PubChem CID136535466
Molecular FormulaC18H12F2N4O4
Molecular Weight386.31 g/mol
Exact Mass386.08
IUPAC Name7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]c(-c3nnc(-c4ccccc4)o3)nc2cc1OC(F)F
InChIInChI=1S/C18H12F2N4O4/c1-26-12-7-10-11(8-13(12)27-18(19)20)21-14(22-15(10)25)17-24-23-16(28-17)9-5-3-2-4-6-9/h2-8,18H,1H3,(H,21,22,25)
InChIKeyVOCFWAVKVSPRRR-UHFFFAOYSA-N
XLogP3.25
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one?
The IUPAC name of 7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one (CID 136535466) is 7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one?
The canonical SMILES for 7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one is COc1cc2c(=O)[nH]c(-c3nnc(-c4ccccc4)o3)nc2cc1OC(F)F.
What is the InChIKey of 7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one?
The InChIKey is VOCFWAVKVSPRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O4/c1-26-12-7-10-11(8-13(12)27-18(19)20)21-14(22-15(10)25)17-24-23-16(28-17)9-5-3-2-4-6-9/h2-8,18H,1H3,(H,21,22,25).
What are the key properties of 7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one?
7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one has a molecular weight of 386.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-6-methoxy-2-(5-phenyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 136535466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).