2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline

C20H18ClF3N4 — CID 22331907

IUPAC2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline
SMILESCc1ccc(Cl)cc1N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1
InChIInChI=1S/C20H18ClF3N4/c1-13-6-7-14(21)12-17(13)27-8-10-28(11-9-27)19-18(20(22,23)24)25-15-4-2-3-5-16(15)26-19/h2-7,12H,8-11H2,1H3
InChIKeyMGYGUMDDIMPUTJ-UHFFFAOYSA-N
MW406.84 g/mol
LogP4.94
Rot. Bonds2

About 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline (PubChem CID 22331907) has the molecular formula C20H18ClF3N4 and a molecular weight of 406.84 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline
PubChem CID22331907
Molecular FormulaC20H18ClF3N4
Molecular Weight406.84 g/mol
Exact Mass406.12
IUPAC Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline
SMILESCc1ccc(Cl)cc1N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1
InChIInChI=1S/C20H18ClF3N4/c1-13-6-7-14(21)12-17(13)27-8-10-28(11-9-27)19-18(20(22,23)24)25-15-4-2-3-5-16(15)26-19/h2-7,12H,8-11H2,1H3
InChIKeyMGYGUMDDIMPUTJ-UHFFFAOYSA-N
XLogP4.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.84
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline (CID 22331907) is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline is Cc1ccc(Cl)cc1N1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline?
The InChIKey is MGYGUMDDIMPUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4/c1-13-6-7-14(21)12-17(13)27-8-10-28(11-9-27)19-18(20(22,23)24)25-15-4-2-3-5-16(15)26-19/h2-7,12H,8-11H2,1H3.
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline?
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline has a molecular weight of 406.84 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 22331907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).