8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline

C22H23F3N4O2 — CID 44581758

IUPAC8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc3ncc(N4CCN(C)CC4)nc23)cc1OC
InChIInChI=1S/C22H23F3N4O2/c1-28-6-8-29(9-7-28)20-13-26-17-12-15(22(23,24)25)11-16(21(17)27-20)14-4-5-18(30-2)19(10-14)31-3/h4-5,10-13H,6-9H2,1-3H3
InChIKeyLYCUFKMALQREHL-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.08
Rot. Bonds4

About 8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline

8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline (PubChem CID 44581758) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline
PubChem CID44581758
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc3ncc(N4CCN(C)CC4)nc23)cc1OC
InChIInChI=1S/C22H23F3N4O2/c1-28-6-8-29(9-7-28)20-13-26-17-12-15(22(23,24)25)11-16(21(17)27-20)14-4-5-18(30-2)19(10-14)31-3/h4-5,10-13H,6-9H2,1-3H3
InChIKeyLYCUFKMALQREHL-UHFFFAOYSA-N
XLogP4.08
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline (CID 44581758) is 8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline is COc1ccc(-c2cc(C(F)(F)F)cc3ncc(N4CCN(C)CC4)nc23)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline?
The InChIKey is LYCUFKMALQREHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-28-6-8-29(9-7-28)20-13-26-17-12-15(22(23,24)25)11-16(21(17)27-20)14-4-5-18(30-2)19(10-14)31-3/h4-5,10-13H,6-9H2,1-3H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline?
8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline has a molecular weight of 432.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 44581758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).