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

C20H22N4O — CID 24853597

IUPAC2-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCc1cccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)c1
InChIInChI=1S/C20H22N4O/c1-15-6-5-7-16(14-15)25-20-19(24-12-10-23(2)11-13-24)21-17-8-3-4-9-18(17)22-20/h3-9,14H,10-13H2,1-2H3
InChIKeyDGVAYORSSGIUIR-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.48
Rot. Bonds3

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

2-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 24853597) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID24853597
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCc1cccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)c1
InChIInChI=1S/C20H22N4O/c1-15-6-5-7-16(14-15)25-20-19(24-12-10-23(2)11-13-24)21-17-8-3-4-9-18(17)22-20/h3-9,14H,10-13H2,1-2H3
InChIKeyDGVAYORSSGIUIR-UHFFFAOYSA-N
XLogP3.48
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-Methoxy-2-piperazin-1-yl-quinoline
CID 22636319
Quinazoline, 2-(4-methyl-1-piperazinyl)-4-phenoxy-
CID 217674
2-Methyl-3-((6-(pyrrolidin-1-yl)pyridin-2-yl)methoxy)quinoxaline
CID 72706474
2-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-2,6-diamine
CID 24805875
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
CID 24805876
6-methoxy-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)quinolin-2-amine
CID 24806071
2-[4-(4-Methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
2-[4-(2-Methoxyphenyl)piperazin-1-yl]quinoline
CID 5199379
2,4-bis-(N-methylphenylamino)-8-methoxyquinazoline
CID 10339142
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinolin-2-amine
CID 22998900
1-(2-(2-Quinolinylamino)ethyl)-4-(2-methoxyphenyl)piperazine
CID 23290959
8-Methoxy-2-(4-methyl-piperazin-1-yl)-quinoline
CID 44316216

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 2-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline (CID 24853597) is 2-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 2-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 2-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline is Cc1cccc(Oc2nc3ccccc3nc2N2CCN(C)CC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is DGVAYORSSGIUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-6-5-7-16(14-15)25-20-19(24-12-10-23(2)11-13-24)21-17-8-3-4-9-18(17)22-20/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 2-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
2-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 334.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 24853597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).