7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one

C11H8N4O2 — CID 135703880

IUPAC7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one
SMILESCc1nnc(-c2ccc3c(=O)[nH]cnc3c2)o1
InChIInChI=1S/C11H8N4O2/c1-6-14-15-11(17-6)7-2-3-8-9(4-7)12-5-13-10(8)16/h2-5H,1H3,(H,12,13,16)
InChIKeyAKPILYPROGZDMQ-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.28
Rot. Bonds1

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

7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one (PubChem CID 135703880) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one
PubChem CID135703880
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one
SMILESCc1nnc(-c2ccc3c(=O)[nH]cnc3c2)o1
InChIInChI=1S/C11H8N4O2/c1-6-14-15-11(17-6)7-2-3-8-9(4-7)12-5-13-10(8)16/h2-5H,1H3,(H,12,13,16)
InChIKeyAKPILYPROGZDMQ-UHFFFAOYSA-N
XLogP1.28
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one?
The IUPAC name of 7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one (CID 135703880) is 7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one?
The canonical SMILES for 7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one is Cc1nnc(-c2ccc3c(=O)[nH]cnc3c2)o1.
What is the InChIKey of 7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one?
The InChIKey is AKPILYPROGZDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c1-6-14-15-11(17-6)7-2-3-8-9(4-7)12-5-13-10(8)16/h2-5H,1H3,(H,12,13,16).
What are the key properties of 7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one?
7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one has a molecular weight of 228.21 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-1,3,4-oxadiazol-2-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135703880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).