2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline

C20H19F3N4 — CID 44581670

IUPAC2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline
SMILESCN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C20H19F3N4/c1-26-7-9-27(10-8-26)18-13-24-17-12-15(20(21,22)23)11-16(19(17)25-18)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3
InChIKeyXBGVVGJFLKPDFX-UHFFFAOYSA-N
MW372.39 g/mol
LogP4.07
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline

2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline (PubChem CID 44581670) has the molecular formula C20H19F3N4 and a molecular weight of 372.39 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline
PubChem CID44581670
Molecular FormulaC20H19F3N4
Molecular Weight372.39 g/mol
Exact Mass372.16
IUPAC Name2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline
SMILESCN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C20H19F3N4/c1-26-7-9-27(10-8-26)18-13-24-17-12-15(20(21,22)23)11-16(19(17)25-18)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3
InChIKeyXBGVVGJFLKPDFX-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 44581292
N-[[6-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-amine
CID 71461891
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
CID 51042039
2-methyl-4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 3253525
4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 11267697
2-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline
CID 155942142
4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 59007235
7-(4-methylpiperazin-1-yl)-2,3-diphenylpyrido[2,3-b]pyrazine
CID 11153246
5-[(4-quinoxalin-2-ylpiperazin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 52555417
1-methyl-4-(6-methyl-4-phenyl-2-pyridinyl)piperazine
CID 11010984
3-(4-methylpiperazin-1-yl)-N-(quinolin-3-ylmethyl)-7-(trifluoromethyl)quinolin-5-amine
CID 90667604

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline (CID 44581670) is 2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline is CN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline?
The InChIKey is XBGVVGJFLKPDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4/c1-26-7-9-27(10-8-26)18-13-24-17-12-15(20(21,22)23)11-16(19(17)25-18)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline?
2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline has a molecular weight of 372.39 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-8-phenyl-6-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 44581670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).