2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone

C21H22N4O2 — CID 108741413

IUPAC2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
SMILESCc1ccccc1OCC(=O)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C21H22N4O2/c1-16-6-2-5-9-19(16)27-15-21(26)25-12-10-24(11-13-25)20-14-22-17-7-3-4-8-18(17)23-20/h2-9,14H,10-13,15H2,1H3
InChIKeyKFBASXVKVOPIFX-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.67
Rot. Bonds4

About 2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone

2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone (PubChem CID 108741413) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
PubChem CID108741413
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
SMILESCc1ccccc1OCC(=O)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C21H22N4O2/c1-16-6-2-5-9-19(16)27-15-21(26)25-12-10-24(11-13-25)20-14-22-17-7-3-4-8-18(17)23-20/h2-9,14H,10-13,15H2,1H3
InChIKeyKFBASXVKVOPIFX-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741428
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 35376587
2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335212
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 16883364
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
2-(2-methylphenoxy)-1-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122339470
4-(2-methylphenoxy)-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765125
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 2669189
2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122338976
2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741397
1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 122337970
1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 121106959

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone (CID 108741413) is 2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone is Cc1ccccc1OCC(=O)N1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is KFBASXVKVOPIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-16-6-2-5-9-19(16)27-15-21(26)25-12-10-24(11-13-25)20-14-22-17-7-3-4-8-18(17)23-20/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 362.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108741413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).