4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

C22H19F3N4 — CID 19978047

IUPAC4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFC(F)(F)c1cccc(N2CCN(c3nc4ccccc4n4cccc34)CC2)c1
InChIInChI=1S/C22H19F3N4/c23-22(24,25)16-5-3-6-17(15-16)27-11-13-28(14-12-27)21-20-9-4-10-29(20)19-8-2-1-7-18(19)26-21/h1-10,15H,11-14H2
InChIKeyGWTUYFWYNRRMKV-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.83
Rot. Bonds2

About 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline

4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (PubChem CID 19978047) has the molecular formula C22H19F3N4 and a molecular weight of 396.42 g/mol. Its IUPAC name is 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
PubChem CID19978047
Molecular FormulaC22H19F3N4
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
SMILESFC(F)(F)c1cccc(N2CCN(c3nc4ccccc4n4cccc34)CC2)c1
InChIInChI=1S/C22H19F3N4/c23-22(24,25)16-5-3-6-17(15-16)27-11-13-28(14-12-27)21-20-9-4-10-29(20)19-8-2-1-7-18(19)26-21/h1-10,15H,11-14H2
InChIKeyGWTUYFWYNRRMKV-UHFFFAOYSA-N
XLogP4.83
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline (CID 19978047) is 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is FC(F)(F)c1cccc(N2CCN(c3nc4ccccc4n4cccc34)CC2)c1.
What is the InChIKey of 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is GWTUYFWYNRRMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4/c23-22(24,25)16-5-3-6-17(15-16)27-11-13-28(14-12-27)21-20-9-4-10-29(20)19-8-2-1-7-18(19)26-21/h1-10,15H,11-14H2.
What are the key properties of 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline?
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline has a molecular weight of 396.42 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 19978047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).