9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline

C16H17FN4 — CID 10541036

IUPAC9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCN1CCN(c2nc3cccc(F)c3n3cccc23)CC1
InChIInChI=1S/C16H17FN4/c1-19-8-10-20(11-9-19)16-14-6-3-7-21(14)15-12(17)4-2-5-13(15)18-16/h2-7H,8-11H2,1H3
InChIKeyRUUCOPFJGNAARF-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.38
Rot. Bonds1

About 9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline

9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (PubChem CID 10541036) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
PubChem CID10541036
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
SMILESCN1CCN(c2nc3cccc(F)c3n3cccc23)CC1
InChIInChI=1S/C16H17FN4/c1-19-8-10-20(11-9-19)16-14-6-3-7-21(14)15-12(17)4-2-5-13(15)18-16/h2-7H,8-11H2,1H3
InChIKeyRUUCOPFJGNAARF-UHFFFAOYSA-N
XLogP2.38
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline (CID 10541036) is 9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is CN1CCN(c2nc3cccc(F)c3n3cccc23)CC1.
What is the InChIKey of 9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
The InChIKey is RUUCOPFJGNAARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-19-8-10-20(11-9-19)16-14-6-3-7-21(14)15-12(17)4-2-5-13(15)18-16/h2-7H,8-11H2,1H3.
What are the key properties of 9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline?
9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline has a molecular weight of 284.34 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10541036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).