4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one

C20H20N4O2 — CID 167850022

IUPAC4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one
SMILESO=C1CN(CCOc2ccc(-c3ccc4nccnc4c3)cc2)CCN1
InChIInChI=1S/C20H20N4O2/c25-20-14-24(10-9-23-20)11-12-26-17-4-1-15(2-5-17)16-3-6-18-19(13-16)22-8-7-21-18/h1-8,13H,9-12,14H2,(H,23,25)
InChIKeyOTEKCGCJYPOZOJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.11
Rot. Bonds5

About 4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one

4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one (PubChem CID 167850022) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one
PubChem CID167850022
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one
SMILESO=C1CN(CCOc2ccc(-c3ccc4nccnc4c3)cc2)CCN1
InChIInChI=1S/C20H20N4O2/c25-20-14-24(10-9-23-20)11-12-26-17-4-1-15(2-5-17)16-3-6-18-19(13-16)22-8-7-21-18/h1-8,13H,9-12,14H2,(H,23,25)
InChIKeyOTEKCGCJYPOZOJ-UHFFFAOYSA-N
XLogP2.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-ethoxyphenoxy)ethyl]piperazin-2-one
CID 8962129
4-[3-(4-aminophenoxy)propyl]piperazin-2-one
CID 43365531
4-[2-(4-bromophenoxy)ethyl]-1,4-diazepan-2-one
CID 62898000
4-[2-(3-oxo-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 65366467
4-[3-(3-chlorophenoxy)propyl]piperazin-2-one
CID 47454012
4-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-2-one
CID 56815002
4-[2-(5-oxo-1,4-diazepan-1-yl)ethoxy]benzenecarbothioamide
CID 63003583
1-[2-[4-(3-aminoprop-1-ynyl)phenoxy]ethyl]-1,4-diazepan-5-one
CID 63003451
10,10-dimethyl-5-oxo-8-[2-(3-oxopiperazin-1-yl)ethoxy]-11H-benzo[b]fluorene-2-carbonitrile
CID 160826592
4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one
CID 8548656
4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one
CID 154950710
3-[3-(3-oxo-1,4-diazepan-1-yl)propoxy]benzonitrile
CID 65360951

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one?
The IUPAC name of 4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one (CID 167850022) is 4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one?
The canonical SMILES for 4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one is O=C1CN(CCOc2ccc(-c3ccc4nccnc4c3)cc2)CCN1.
What is the InChIKey of 4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one?
The InChIKey is OTEKCGCJYPOZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20-14-24(10-9-23-20)11-12-26-17-4-1-15(2-5-17)16-3-6-18-19(13-16)22-8-7-21-18/h1-8,13H,9-12,14H2,(H,23,25).
What are the key properties of 4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one?
4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one has a molecular weight of 348.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one is sourced from PubChem (CID 167850022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).