3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one

C13H16N4O — CID 12686479

IUPAC3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
SMILESCN1CCN(c2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)12-13(18)15-11-5-3-2-4-10(11)14-12/h2-5H,6-9H2,1H3,(H,15,18)
InChIKeyFKFNPTZCZKTCNF-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.67
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one

3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one (PubChem CID 12686479) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
PubChem CID12686479
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
SMILESCN1CCN(c2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)12-13(18)15-11-5-3-2-4-10(11)14-12/h2-5H,6-9H2,1H3,(H,15,18)
InChIKeyFKFNPTZCZKTCNF-UHFFFAOYSA-N
XLogP0.67
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one (CID 12686479) is 3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one is CN1CCN(c2nc3ccccc3[nH]c2=O)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The InChIKey is FKFNPTZCZKTCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)12-13(18)15-11-5-3-2-4-10(11)14-12/h2-5H,6-9H2,1H3,(H,15,18).
What are the key properties of 3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one has a molecular weight of 244.30 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 12686479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).