7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one

C12H9FN4O2 — CID 39005127

IUPAC7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
SMILESCc1nc(Cn2cnc3cc(F)ccc3c2=O)no1
InChIInChI=1S/C12H9FN4O2/c1-7-15-11(16-19-7)5-17-6-14-10-4-8(13)2-3-9(10)12(17)18/h2-4,6H,5H2,1H3
InChIKeySTQUMMNQTPQYPX-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.28
Rot. Bonds2

About 7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one

7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one (PubChem CID 39005127) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is 7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
PubChem CID39005127
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC Name7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
SMILESCc1nc(Cn2cnc3cc(F)ccc3c2=O)no1
InChIInChI=1S/C12H9FN4O2/c1-7-15-11(16-19-7)5-17-6-14-10-4-8(13)2-3-9(10)12(17)18/h2-4,6H,5H2,1H3
InChIKeySTQUMMNQTPQYPX-UHFFFAOYSA-N
XLogP1.28
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one (CID 39005127) is 7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one is Cc1nc(Cn2cnc3cc(F)ccc3c2=O)no1.
What is the InChIKey of 7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
The InChIKey is STQUMMNQTPQYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2/c1-7-15-11(16-19-7)5-17-6-14-10-4-8(13)2-3-9(10)12(17)18/h2-4,6H,5H2,1H3.
What are the key properties of 7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one?
7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one has a molecular weight of 260.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 39005127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).