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

C18H20N4O2 — CID 166288471

IUPAC3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCC1(c2noc(Cc3cc4ccccc4[nH]c3=O)n2)CCNCC1
InChIInChI=1S/C18H20N4O2/c1-18(6-8-19-9-7-18)17-21-15(24-22-17)11-13-10-12-4-2-3-5-14(12)20-16(13)23/h2-5,10,19H,6-9,11H2,1H3,(H,20,23)
InChIKeyWFPCCJZEUIMRBG-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.14
Rot. Bonds3

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

3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 166288471) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one
PubChem CID166288471
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCC1(c2noc(Cc3cc4ccccc4[nH]c3=O)n2)CCNCC1
InChIInChI=1S/C18H20N4O2/c1-18(6-8-19-9-7-18)17-21-15(24-22-17)11-13-10-12-4-2-3-5-14(12)20-16(13)23/h2-5,10,19H,6-9,11H2,1H3,(H,20,23)
InChIKeyWFPCCJZEUIMRBG-UHFFFAOYSA-N
XLogP2.14
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one (CID 166288471) is 3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one is CC1(c2noc(Cc3cc4ccccc4[nH]c3=O)n2)CCNCC1.
What is the InChIKey of 3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one?
The InChIKey is WFPCCJZEUIMRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-18(6-8-19-9-7-18)17-21-15(24-22-17)11-13-10-12-4-2-3-5-14(12)20-16(13)23/h2-5,10,19H,6-9,11H2,1H3,(H,20,23).
What are the key properties of 3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one?
3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 166288471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).