2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline

C21H24N4O2 — CID 24854703

IUPAC2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCOc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-24-11-13-25(14-12-24)20-21(23-19-6-4-3-5-18(19)22-20)27-15-16-7-9-17(26-2)10-8-16/h3-10H,11-15H2,1-2H3
InChIKeyDTNCOGJSSGSXAG-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.97
Rot. Bonds5

About 2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline

2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 24854703) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID24854703
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCOc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1
InChIInChI=1S/C21H24N4O2/c1-24-11-13-25(14-12-24)20-21(23-19-6-4-3-5-18(19)22-20)27-15-16-7-9-17(26-2)10-8-16/h3-10H,11-15H2,1-2H3
InChIKeyDTNCOGJSSGSXAG-UHFFFAOYSA-N
XLogP2.97
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-3-((6-(pyrrolidin-1-yl)pyridin-2-yl)methoxy)quinoxaline
CID 72706474
2-[4-(2-Methoxyphenyl)piperazin-1-yl]quinoline
CID 5199379
1-(2-(2-Quinolinylamino)ethyl)-4-(2-methoxyphenyl)piperazine
CID 23290959
2-Methyl-3-((6-(piperidin-1-yl)pyridin-2-yl)methoxy)quinoxaline
CID 72706533
4-[3-[(4-Nitrophenyl)methoxy]quinoxalin-2-yl]morpholine
CID 2469334
4-[3-(2-Phenoxyethoxy)-2-quinoxalinyl]morpholine
CID 2562124
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)quinolin-2-amine
CID 24805674
2-[(3-Chlorophenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853595
2-(3-Methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853597
2-(4-Methylpiperazin-1-yl)-3-phenoxyquinoxaline
CID 24854637
2-(4-Methylpiperazin-1-yl)-3-phenylmethoxyquinoxaline
CID 24854638
2-(4-Methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline
CID 24854639

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline (CID 24854703) is 2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline is COc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is DTNCOGJSSGSXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24-11-13-25(14-12-24)20-21(23-19-6-4-3-5-18(19)22-20)27-15-16-7-9-17(26-2)10-8-16/h3-10H,11-15H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline?
2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 364.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 24854703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).