6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one

C11H13N3O — CID 117291697

IUPAC6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one
SMILESCNCCc1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C11H13N3O/c1-12-5-4-8-2-3-9-10(6-8)13-7-11(15)14-9/h2-3,6-7,12H,4-5H2,1H3,(H,14,15)
InChIKeyUBSXKHZDCFMKHF-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.69
Rot. Bonds3

About 6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one

6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one (PubChem CID 117291697) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one
PubChem CID117291697
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one
SMILESCNCCc1ccc2[nH]c(=O)cnc2c1
InChIInChI=1S/C11H13N3O/c1-12-5-4-8-2-3-9-10(6-8)13-7-11(15)14-9/h2-3,6-7,12H,4-5H2,1H3,(H,14,15)
InChIKeyUBSXKHZDCFMKHF-UHFFFAOYSA-N
XLogP0.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one?
The IUPAC name of 6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one (CID 117291697) is 6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one?
The canonical SMILES for 6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one is CNCCc1ccc2[nH]c(=O)cnc2c1.
What is the InChIKey of 6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one?
The InChIKey is UBSXKHZDCFMKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-12-5-4-8-2-3-9-10(6-8)13-7-11(15)14-9/h2-3,6-7,12H,4-5H2,1H3,(H,14,15).
What are the key properties of 6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one?
6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one has a molecular weight of 203.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylamino)ethyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 117291697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).