3-piperazin-1-yl-1H-quinoxalin-2-one

C12H14N4O — CID 12686477

IUPAC3-piperazin-1-yl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1N1CCNCC1
InChIInChI=1S/C12H14N4O/c17-12-11(16-7-5-13-6-8-16)14-9-3-1-2-4-10(9)15-12/h1-4,13H,5-8H2,(H,15,17)
InChIKeyVBHKPSBTQOQTHK-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.33
Rot. Bonds1

About 3-piperazin-1-yl-1H-quinoxalin-2-one

3-piperazin-1-yl-1H-quinoxalin-2-one (PubChem CID 12686477) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-piperazin-1-yl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-piperazin-1-yl-1H-quinoxalin-2-one
PubChem CID12686477
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-piperazin-1-yl-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1N1CCNCC1
InChIInChI=1S/C12H14N4O/c17-12-11(16-7-5-13-6-8-16)14-9-3-1-2-4-10(9)15-12/h1-4,13H,5-8H2,(H,15,17)
InChIKeyVBHKPSBTQOQTHK-UHFFFAOYSA-N
XLogP0.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1H-quinoxalin-2-one?
The IUPAC name of 3-piperazin-1-yl-1H-quinoxalin-2-one (CID 12686477) is 3-piperazin-1-yl-1H-quinoxalin-2-one.
What is the SMILES notation for 3-piperazin-1-yl-1H-quinoxalin-2-one?
The canonical SMILES for 3-piperazin-1-yl-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1N1CCNCC1.
What is the InChIKey of 3-piperazin-1-yl-1H-quinoxalin-2-one?
The InChIKey is VBHKPSBTQOQTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12-11(16-7-5-13-6-8-16)14-9-3-1-2-4-10(9)15-12/h1-4,13H,5-8H2,(H,15,17).
What are the key properties of 3-piperazin-1-yl-1H-quinoxalin-2-one?
3-piperazin-1-yl-1H-quinoxalin-2-one has a molecular weight of 230.27 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1H-quinoxalin-2-one is sourced from PubChem (CID 12686477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).