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

C17H20N6O2 — CID 126896916

IUPAC3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
SMILESCc1nc(CN2CCN(c3ccc4c(=O)n(C)cnc4c3)CC2)no1
InChIInChI=1S/C17H20N6O2/c1-12-19-16(20-25-12)10-22-5-7-23(8-6-22)13-3-4-14-15(9-13)18-11-21(2)17(14)24/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyIEHXXWNQLWXGAS-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.95
Rot. Bonds3

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

3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one (PubChem CID 126896916) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
PubChem CID126896916
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
SMILESCc1nc(CN2CCN(c3ccc4c(=O)n(C)cnc4c3)CC2)no1
InChIInChI=1S/C17H20N6O2/c1-12-19-16(20-25-12)10-22-5-7-23(8-6-22)13-3-4-14-15(9-13)18-11-21(2)17(14)24/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyIEHXXWNQLWXGAS-UHFFFAOYSA-N
XLogP0.95
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one (CID 126896916) is 3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one is Cc1nc(CN2CCN(c3ccc4c(=O)n(C)cnc4c3)CC2)no1.
What is the InChIKey of 3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The InChIKey is IEHXXWNQLWXGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-19-16(20-25-12)10-22-5-7-23(8-6-22)13-3-4-14-15(9-13)18-11-21(2)17(14)24/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one?
3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one has a molecular weight of 340.39 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126896916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).