6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline

C13H15FN4 — CID 15312350

IUPAC6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2cc3nccnc3cc2F)CC1
InChIInChI=1S/C13H15FN4/c1-17-4-6-18(7-5-17)13-9-12-11(8-10(13)14)15-2-3-16-12/h2-3,8-9H,4-7H2,1H3
InChIKeyIFUDWNOECPYDKY-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.52
Rot. Bonds1

About 6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline

6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline (PubChem CID 15312350) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline.

Molecular Properties

Compound Name6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline
PubChem CID15312350
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline
SMILESCN1CCN(c2cc3nccnc3cc2F)CC1
InChIInChI=1S/C13H15FN4/c1-17-4-6-18(7-5-17)13-9-12-11(8-10(13)14)15-2-3-16-12/h2-3,8-9H,4-7H2,1H3
InChIKeyIFUDWNOECPYDKY-UHFFFAOYSA-N
XLogP1.52
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline?
The IUPAC name of 6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline (CID 15312350) is 6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline.
What is the SMILES notation for 6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline?
The canonical SMILES for 6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline is CN1CCN(c2cc3nccnc3cc2F)CC1.
What is the InChIKey of 6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline?
The InChIKey is IFUDWNOECPYDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-17-4-6-18(7-5-17)13-9-12-11(8-10(13)14)15-2-3-16-12/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline?
6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline has a molecular weight of 246.29 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline is sourced from PubChem (CID 15312350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).