2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline

C22H26N4O — CID 67885692

IUPAC2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline
SMILESCc1cccc(N2CCN(CCOc3cnc4ccccc4n3)CC2)c1C
InChIInChI=1S/C22H26N4O/c1-17-6-5-9-21(18(17)2)26-12-10-25(11-13-26)14-15-27-22-16-23-19-7-3-4-8-20(19)24-22/h3-9,16H,10-15H2,1-2H3
InChIKeyBOQHAJMUCZZKGV-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.45
Rot. Bonds5

About 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline

2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline (PubChem CID 67885692) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline.

Molecular Properties

Compound Name2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline
PubChem CID67885692
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline
SMILESCc1cccc(N2CCN(CCOc3cnc4ccccc4n3)CC2)c1C
InChIInChI=1S/C22H26N4O/c1-17-6-5-9-21(18(17)2)26-12-10-25(11-13-26)14-15-27-22-16-23-19-7-3-4-8-20(19)24-22/h3-9,16H,10-15H2,1-2H3
InChIKeyBOQHAJMUCZZKGV-UHFFFAOYSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride
CID 21149439
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol
CID 61071831
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-4-methylquinolin-2-amine
CID 22998888
5-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-2,3-dimethylpyrazine
CID 139654537
2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline
CID 139623945
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine
CID 134154491
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanenitrile
CID 11107993
1-[2-(benzenesulfonyl)ethyl]-4-(2,3-dimethylphenyl)piperazine
CID 51170901
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
CID 134154490
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propylsulfanyl]aniline;dihydrochloride
CID 10224460
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]isoquinolin-1-amine;hydrobromide
CID 67631277

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline?
The IUPAC name of 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline (CID 67885692) is 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline.
What is the SMILES notation for 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline?
The canonical SMILES for 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline is Cc1cccc(N2CCN(CCOc3cnc4ccccc4n3)CC2)c1C.
What is the InChIKey of 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline?
The InChIKey is BOQHAJMUCZZKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17-6-5-9-21(18(17)2)26-12-10-25(11-13-26)14-15-27-22-16-23-19-7-3-4-8-20(19)24-22/h3-9,16H,10-15H2,1-2H3.
What are the key properties of 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline?
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline has a molecular weight of 362.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]quinoxaline is sourced from PubChem (CID 67885692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).