2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline

C19H19FN4O — CID 24854707

IUPAC2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN4O/c1-23-10-12-24(13-11-23)18-19(25-15-8-6-14(20)7-9-15)22-17-5-3-2-4-16(17)21-18/h2-9H,10-13H2,1H3
InChIKeyUFGRYMQFECJJLR-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.31
Rot. Bonds3

About 2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline

2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 24854707) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID24854707
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN4O/c1-23-10-12-24(13-11-23)18-19(25-15-8-6-14(20)7-9-15)22-17-5-3-2-4-16(17)21-18/h2-9H,10-13H2,1H3
InChIKeyUFGRYMQFECJJLR-UHFFFAOYSA-N
XLogP3.31
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline (CID 24854707) is 2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline is CN1CCN(c2nc3ccccc3nc2Oc2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is UFGRYMQFECJJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-23-10-12-24(13-11-23)18-19(25-15-8-6-14(20)7-9-15)22-17-5-3-2-4-16(17)21-18/h2-9H,10-13H2,1H3.
What are the key properties of 2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline?
2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 338.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 24854707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).