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

C18H22N6O2 — CID 72915693

IUPAC3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
SMILESCN1CCN(Cc2noc(CCc3nc4ccccc4[nH]c3=O)n2)CC1
InChIInChI=1S/C18H22N6O2/c1-23-8-10-24(11-9-23)12-16-21-17(26-22-16)7-6-15-18(25)20-14-5-3-2-4-13(14)19-15/h2-5H,6-12H2,1H3,(H,20,25)
InChIKeyNKRQNRCKNSSAAA-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.84
Rot. Bonds5

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

3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one (PubChem CID 72915693) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
PubChem CID72915693
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
SMILESCN1CCN(Cc2noc(CCc3nc4ccccc4[nH]c3=O)n2)CC1
InChIInChI=1S/C18H22N6O2/c1-23-8-10-24(11-9-23)12-16-21-17(26-22-16)7-6-15-18(25)20-14-5-3-2-4-13(14)19-15/h2-5H,6-12H2,1H3,(H,20,25)
InChIKeyNKRQNRCKNSSAAA-UHFFFAOYSA-N
XLogP0.84
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[(4-methylpiperazin-1-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72841088
3-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
CID 72896419
3-[(4-methylpiperazin-1-yl)methyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 72939419
5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 133455374
3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1H-quinoxalin-2-one
CID 78963602
3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one
CID 110665541
3-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 17430756
3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1H-quinoxalin-2-one
CID 104975782
3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one
CID 50979819
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 56713228
3-[3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110741171

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one (CID 72915693) is 3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one is CN1CCN(Cc2noc(CCc3nc4ccccc4[nH]c3=O)n2)CC1.
What is the InChIKey of 3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one?
The InChIKey is NKRQNRCKNSSAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-23-8-10-24(11-9-23)12-16-21-17(26-22-16)7-6-15-18(25)20-14-5-3-2-4-13(14)19-15/h2-5H,6-12H2,1H3,(H,20,25).
What are the key properties of 3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one?
3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one has a molecular weight of 354.41 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 72915693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).