1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one

C17H22N4O2 — CID 50837376

IUPAC1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one
SMILESCCC(=O)N1CCN(c2nc3ccccc3n(CC)c2=O)CC1
InChIInChI=1S/C17H22N4O2/c1-3-15(22)19-9-11-20(12-10-19)16-17(23)21(4-2)14-8-6-5-7-13(14)18-16/h5-8H,3-4,9-12H2,1-2H3
InChIKeyJUNAJKWXSGCFFW-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.48
Rot. Bonds3

About 1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one

1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one (PubChem CID 50837376) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one
PubChem CID50837376
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one
SMILESCCC(=O)N1CCN(c2nc3ccccc3n(CC)c2=O)CC1
InChIInChI=1S/C17H22N4O2/c1-3-15(22)19-9-11-20(12-10-19)16-17(23)21(4-2)14-8-6-5-7-13(14)18-16/h5-8H,3-4,9-12H2,1-2H3
InChIKeyJUNAJKWXSGCFFW-UHFFFAOYSA-N
XLogP1.48
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one?
The IUPAC name of 1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one (CID 50837376) is 1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one?
The canonical SMILES for 1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one is CCC(=O)N1CCN(c2nc3ccccc3n(CC)c2=O)CC1.
What is the InChIKey of 1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one?
The InChIKey is JUNAJKWXSGCFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-15(22)19-9-11-20(12-10-19)16-17(23)21(4-2)14-8-6-5-7-13(14)18-16/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one?
1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-propanoylpiperazin-1-yl)quinoxalin-2-one is sourced from PubChem (CID 50837376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).