3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one

C17H19N5O2 — CID 166304795

IUPAC3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCN1CCN(c2noc(Cc3cc4ccccc4[nH]c3=O)n2)CC1
InChIInChI=1S/C17H19N5O2/c1-21-6-8-22(9-7-21)17-19-15(24-20-17)11-13-10-12-4-2-3-5-14(12)18-16(13)23/h2-5,10H,6-9,11H2,1H3,(H,18,23)
InChIKeyXRWIACDAYAMDQO-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.25
Rot. Bonds3

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

3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 166304795) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one
PubChem CID166304795
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCN1CCN(c2noc(Cc3cc4ccccc4[nH]c3=O)n2)CC1
InChIInChI=1S/C17H19N5O2/c1-21-6-8-22(9-7-21)17-19-15(24-20-17)11-13-10-12-4-2-3-5-14(12)18-16(13)23/h2-5,10H,6-9,11H2,1H3,(H,18,23)
InChIKeyXRWIACDAYAMDQO-UHFFFAOYSA-N
XLogP1.25
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one
CID 166288471
5-methyl-5-[3-[5-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 154838574
3-[[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one
CID 166457987
4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116809545
3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one
CID 119138424
3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one
CID 166457847
3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 128979096
3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one
CID 166457858
3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one
CID 167291231
3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 116809557
3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one
CID 166457969
3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one
CID 166457923

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one (CID 166304795) is 3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one is CN1CCN(c2noc(Cc3cc4ccccc4[nH]c3=O)n2)CC1.
What is the InChIKey of 3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one?
The InChIKey is XRWIACDAYAMDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21-6-8-22(9-7-21)17-19-15(24-20-17)11-13-10-12-4-2-3-5-14(12)18-16(13)23/h2-5,10H,6-9,11H2,1H3,(H,18,23).
What are the key properties of 3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one?
3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 325.37 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 166304795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).