5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one

C17H17N5O3 — CID 136570397

IUPAC5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one
SMILESCOc1cc(-c2noc(C3CN(C)C(=O)CN3)n2)c2ccccc2n1
InChIInChI=1S/C17H17N5O3/c1-22-9-13(18-8-15(22)23)17-20-16(21-25-17)11-7-14(24-2)19-12-6-4-3-5-10(11)12/h3-7,13,18H,8-9H2,1-2H3
InChIKeyQCXTWURWFHRIKW-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.40
Rot. Bonds3

About 5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one

5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one (PubChem CID 136570397) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one
PubChem CID136570397
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one
SMILESCOc1cc(-c2noc(C3CN(C)C(=O)CN3)n2)c2ccccc2n1
InChIInChI=1S/C17H17N5O3/c1-22-9-13(18-8-15(22)23)17-20-16(21-25-17)11-7-14(24-2)19-12-6-4-3-5-10(11)12/h3-7,13,18H,8-9H2,1-2H3
InChIKeyQCXTWURWFHRIKW-UHFFFAOYSA-N
XLogP1.40
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one?
The IUPAC name of 5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one (CID 136570397) is 5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one is COc1cc(-c2noc(C3CN(C)C(=O)CN3)n2)c2ccccc2n1.
What is the InChIKey of 5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one?
The InChIKey is QCXTWURWFHRIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-22-9-13(18-8-15(22)23)17-20-16(21-25-17)11-7-14(24-2)19-12-6-4-3-5-10(11)12/h3-7,13,18H,8-9H2,1-2H3.
What are the key properties of 5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one?
5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one has a molecular weight of 339.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 136570397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).