1-methyl-3-piperazin-1-ylquinoxalin-2-one

C13H16N4O — CID 12686399

IUPAC1-methyl-3-piperazin-1-ylquinoxalin-2-one
SMILESCn1c(=O)c(N2CCNCC2)nc2ccccc21
InChIInChI=1S/C13H16N4O/c1-16-11-5-3-2-4-10(11)15-12(13(16)18)17-8-6-14-7-9-17/h2-5,14H,6-9H2,1H3
InChIKeyCDYQSZXMIZBJFL-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.34
Rot. Bonds1

About 1-methyl-3-piperazin-1-ylquinoxalin-2-one

1-methyl-3-piperazin-1-ylquinoxalin-2-one (PubChem CID 12686399) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-methyl-3-piperazin-1-ylquinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-piperazin-1-ylquinoxalin-2-one
PubChem CID12686399
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-methyl-3-piperazin-1-ylquinoxalin-2-one
SMILESCn1c(=O)c(N2CCNCC2)nc2ccccc21
InChIInChI=1S/C13H16N4O/c1-16-11-5-3-2-4-10(11)15-12(13(16)18)17-8-6-14-7-9-17/h2-5,14H,6-9H2,1H3
InChIKeyCDYQSZXMIZBJFL-UHFFFAOYSA-N
XLogP0.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperazin-1-ylquinoxalin-2-one?
The IUPAC name of 1-methyl-3-piperazin-1-ylquinoxalin-2-one (CID 12686399) is 1-methyl-3-piperazin-1-ylquinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-piperazin-1-ylquinoxalin-2-one?
The canonical SMILES for 1-methyl-3-piperazin-1-ylquinoxalin-2-one is Cn1c(=O)c(N2CCNCC2)nc2ccccc21.
What is the InChIKey of 1-methyl-3-piperazin-1-ylquinoxalin-2-one?
The InChIKey is CDYQSZXMIZBJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-11-5-3-2-4-10(11)15-12(13(16)18)17-8-6-14-7-9-17/h2-5,14H,6-9H2,1H3.
What are the key properties of 1-methyl-3-piperazin-1-ylquinoxalin-2-one?
1-methyl-3-piperazin-1-ylquinoxalin-2-one has a molecular weight of 244.30 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperazin-1-ylquinoxalin-2-one is sourced from PubChem (CID 12686399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).