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

C18H21N5O2 — CID 128979096

IUPAC3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1noc(C2CN(Cc3cc4ccccc4[nH]c3=O)CCN2C)n1
InChIInChI=1S/C18H21N5O2/c1-12-19-18(25-21-12)16-11-23(8-7-22(16)2)10-14-9-13-5-3-4-6-15(13)20-17(14)24/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,20,24)
InChIKeyAQXLVXHHIDOVGV-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.71
Rot. Bonds3

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

3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 128979096) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID128979096
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1noc(C2CN(Cc3cc4ccccc4[nH]c3=O)CCN2C)n1
InChIInChI=1S/C18H21N5O2/c1-12-19-18(25-21-12)16-11-23(8-7-22(16)2)10-14-9-13-5-3-4-6-15(13)20-17(14)24/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,20,24)
InChIKeyAQXLVXHHIDOVGV-UHFFFAOYSA-N
XLogP1.71
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-ethyl-2-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-pyrimidin-6-one
CID 137213877
[4-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]phenyl]methanol
CID 128980571
3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole
CID 129486090
3-[[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]benzamide
CID 129346925
3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide
CID 154814702
3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methyl]-1H-quinolin-2-one
CID 166225874
3-[[3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 156611385
3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 126768056
5-[(2S)-4-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129485896
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 110019820
5-[(2S)-4-[2-(2-chlorophenoxy)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129351338
5-[1-[(2-oxo-1H-quinolin-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128999927

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one (CID 128979096) is 3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one is Cc1noc(C2CN(Cc3cc4ccccc4[nH]c3=O)CCN2C)n1.
What is the InChIKey of 3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is AQXLVXHHIDOVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-19-18(25-21-12)16-11-23(8-7-22(16)2)10-14-9-13-5-3-4-6-15(13)20-17(14)24/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,20,24).
What are the key properties of 3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 128979096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).