2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline

C21H24N4O — CID 24854639

IUPAC2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2OCCc2ccccc2)CC1
InChIInChI=1S/C21H24N4O/c1-24-12-14-25(15-13-24)20-21(23-19-10-6-5-9-18(19)22-20)26-16-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyPRRKMFNGOXKXSY-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.00
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline

2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline (PubChem CID 24854639) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline
PubChem CID24854639
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2OCCc2ccccc2)CC1
InChIInChI=1S/C21H24N4O/c1-24-12-14-25(15-13-24)20-21(23-19-10-6-5-9-18(19)22-20)26-16-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
InChIKeyPRRKMFNGOXKXSY-UHFFFAOYSA-N
XLogP3.00
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-N-(2-morpholinoethyl)quinoxalin-2-amine
CID 11624425
Vuf-10148
CID 24759623
1,2,3,4,4a,5-Hexahydropyrido[1',2':4,5][1,4]oxazino[2,3-b]quinoxaline
CID 4438134
2-Methoxy-3-(4-methylpiperazin-1-yl)quinoxaline
CID 8070960
2-Methyl-3-((6-(pyrrolidin-1-yl)pyridin-2-yl)methoxy)quinoxaline
CID 72706474
1-[(6-Fluoro-2-methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3-methylphenyl)piperazine
CID 11675599
1-[(2-Methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethylphenyl)piperazine
CID 23446362
2-Ethoxy-3-(4-methylpiperazin-1-yl)quinoxaline
CID 24853663
2-[3-[3-(4-Methylphenyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58548001
2-[3-(3-Piperidin-1-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58548016
2-[3-[3-(4-Methylpiperidin-1-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58548040
[1-[3-(1-Quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol
CID 58548077

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline (CID 24854639) is 2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline is CN1CCN(c2nc3ccccc3nc2OCCc2ccccc2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline?
The InChIKey is PRRKMFNGOXKXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24-12-14-25(15-13-24)20-21(23-19-10-6-5-9-18(19)22-20)26-16-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline?
2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline has a molecular weight of 348.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-3-(2-phenylethoxy)quinoxaline is sourced from PubChem (CID 24854639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).