2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline

C13H14ClFN4 — CID 86039288

IUPAC2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3cc(F)ccc3nc2Cl)CC1
InChIInChI=1S/C13H14ClFN4/c1-18-4-6-19(7-5-18)13-12(14)16-10-3-2-9(15)8-11(10)17-13/h2-3,8H,4-7H2,1H3
InChIKeyWYZDKLHGTGFXIL-UHFFFAOYSA-N
MW280.73 g/mol
LogP2.17
Rot. Bonds1

About 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline

2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 86039288) has the molecular formula C13H14ClFN4 and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID86039288
Molecular FormulaC13H14ClFN4
Molecular Weight280.73 g/mol
Exact Mass280.09
IUPAC Name2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2nc3cc(F)ccc3nc2Cl)CC1
InChIInChI=1S/C13H14ClFN4/c1-18-4-6-19(7-5-18)13-12(14)16-10-3-2-9(15)8-11(10)17-13/h2-3,8H,4-7H2,1H3
InChIKeyWYZDKLHGTGFXIL-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline (CID 86039288) is 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline is CN1CCN(c2nc3cc(F)ccc3nc2Cl)CC1.
What is the InChIKey of 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is WYZDKLHGTGFXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4/c1-18-4-6-19(7-5-18)13-12(14)16-10-3-2-9(15)8-11(10)17-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline?
2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 280.73 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 86039288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).