4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

C24H23F3N4 — CID 19978064

IUPAC4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFC(F)(F)c1ccccc1CCN1CCN(c2nc3ccccc3n3cccc23)CC1
InChIInChI=1S/C24H23F3N4/c25-24(26,27)19-7-2-1-6-18(19)11-13-29-14-16-30(17-15-29)23-22-10-5-12-31(22)21-9-4-3-8-20(21)28-23/h1-10,12H,11,13-17H2
InChIKeyBOKHAIYOJKUBDW-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.87
Rot. Bonds4

About 4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (PubChem CID 19978064) has the molecular formula C24H23F3N4 and a molecular weight of 424.47 g/mol. Its IUPAC name is 4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
PubChem CID19978064
Molecular FormulaC24H23F3N4
Molecular Weight424.47 g/mol
Exact Mass424.19
IUPAC Name4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFC(F)(F)c1ccccc1CCN1CCN(c2nc3ccccc3n3cccc23)CC1
InChIInChI=1S/C24H23F3N4/c25-24(26,27)19-7-2-1-6-18(19)11-13-29-14-16-30(17-15-29)23-22-10-5-12-31(22)21-9-4-3-8-20(21)28-23/h1-10,12H,11,13-17H2
InChIKeyBOKHAIYOJKUBDW-UHFFFAOYSA-N
XLogP4.87
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (CID 19978064) is 4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is FC(F)(F)c1ccccc1CCN1CCN(c2nc3ccccc3n3cccc23)CC1.
What is the InChIKey of 4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is BOKHAIYOJKUBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4/c25-24(26,27)19-7-2-1-6-18(19)11-13-29-14-16-30(17-15-29)23-22-10-5-12-31(22)21-9-4-3-8-20(21)28-23/h1-10,12H,11,13-17H2.
What are the key properties of 4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline has a molecular weight of 424.47 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 19978064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).