2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone

C22H24N4O3 — CID 108741397

IUPAC2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(c3cnc4ccccc4n3)CC2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-28-19-8-7-16(13-20(19)29-2)14-22(27)26-11-9-25(10-12-26)21-15-23-17-5-3-4-6-18(17)24-21/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyZIBACDMDBSCTKQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.54
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone

2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone (PubChem CID 108741397) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
PubChem CID108741397
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(c3cnc4ccccc4n3)CC2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-28-19-8-7-16(13-20(19)29-2)14-22(27)26-11-9-25(10-12-26)21-15-23-17-5-3-4-6-18(17)24-21/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyZIBACDMDBSCTKQ-UHFFFAOYSA-N
XLogP2.54
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 108741549
(E)-3-(4-ethoxy-3-methoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 108763986
3,4,5-trimethoxy-N-[2-oxo-2-(4-quinoxalin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108763927
2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 30773941
4-(2-bromo-4-ethylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)butan-1-one
CID 108764018
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]pentan-1-one
CID 110365843
6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 53081684
4-chloro-1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 108570291
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110805950
2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 46375629

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone (CID 108741397) is 2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone is COc1ccc(CC(=O)N2CCN(c3cnc4ccccc4n3)CC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is ZIBACDMDBSCTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-19-8-7-16(13-20(19)29-2)14-22(27)26-11-9-25(10-12-26)21-15-23-17-5-3-4-6-18(17)24-21/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone?
2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 392.46 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108741397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).