6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline

C15H13F4N5 — CID 70909087

IUPAC6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline
SMILESFc1cc(C(F)(F)F)cc2c1nc(N1CCNCC1)c1nccn12
InChIInChI=1S/C15H13F4N5/c16-10-7-9(15(17,18)19)8-11-12(10)22-14(13-21-3-6-24(11)13)23-4-1-20-2-5-23/h3,6-8,20H,1-2,4-5H2
InChIKeyXQQGBACSOBPAKV-UHFFFAOYSA-N
MW339.30 g/mol
LogP2.45
Rot. Bonds1

About 6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline

6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline (PubChem CID 70909087) has the molecular formula C15H13F4N5 and a molecular weight of 339.30 g/mol. Its IUPAC name is 6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline.

Molecular Properties

Compound Name6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline
PubChem CID70909087
Molecular FormulaC15H13F4N5
Molecular Weight339.30 g/mol
Exact Mass339.11
IUPAC Name6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline
SMILESFc1cc(C(F)(F)F)cc2c1nc(N1CCNCC1)c1nccn12
InChIInChI=1S/C15H13F4N5/c16-10-7-9(15(17,18)19)8-11-12(10)22-14(13-21-3-6-24(11)13)23-4-1-20-2-5-23/h3,6-8,20H,1-2,4-5H2
InChIKeyXQQGBACSOBPAKV-UHFFFAOYSA-N
XLogP2.45
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline?
The IUPAC name of 6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline (CID 70909087) is 6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline.
What is the SMILES notation for 6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline?
The canonical SMILES for 6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline is Fc1cc(C(F)(F)F)cc2c1nc(N1CCNCC1)c1nccn12.
What is the InChIKey of 6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline?
The InChIKey is XQQGBACSOBPAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N5/c16-10-7-9(15(17,18)19)8-11-12(10)22-14(13-21-3-6-24(11)13)23-4-1-20-2-5-23/h3,6-8,20H,1-2,4-5H2.
What are the key properties of 6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline?
6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline has a molecular weight of 339.30 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline is sourced from PubChem (CID 70909087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).