1,3,6,7-tetramethylquinoxalin-2-one

C12H14N2O — CID 848831

IUPAC1,3,6,7-tetramethylquinoxalin-2-one
SMILESCc1cc2nc(C)c(=O)n(C)c2cc1C
InChIInChI=1S/C12H14N2O/c1-7-5-10-11(6-8(7)2)14(4)12(15)9(3)13-10/h5-6H,1-4H3
InChIKeyIVURBRPZGWNNLH-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.86
Rot. Bonds

About 1,3,6,7-tetramethylquinoxalin-2-one

1,3,6,7-tetramethylquinoxalin-2-one (PubChem CID 848831) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1,3,6,7-tetramethylquinoxalin-2-one.

Molecular Properties

Compound Name1,3,6,7-tetramethylquinoxalin-2-one
PubChem CID848831
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1,3,6,7-tetramethylquinoxalin-2-one
SMILESCc1cc2nc(C)c(=O)n(C)c2cc1C
InChIInChI=1S/C12H14N2O/c1-7-5-10-11(6-8(7)2)14(4)12(15)9(3)13-10/h5-6H,1-4H3
InChIKeyIVURBRPZGWNNLH-UHFFFAOYSA-N
XLogP1.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,6,7-tetramethylquinoxalin-2-one?
The IUPAC name of 1,3,6,7-tetramethylquinoxalin-2-one (CID 848831) is 1,3,6,7-tetramethylquinoxalin-2-one.
What is the SMILES notation for 1,3,6,7-tetramethylquinoxalin-2-one?
The canonical SMILES for 1,3,6,7-tetramethylquinoxalin-2-one is Cc1cc2nc(C)c(=O)n(C)c2cc1C.
What is the InChIKey of 1,3,6,7-tetramethylquinoxalin-2-one?
The InChIKey is IVURBRPZGWNNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7-5-10-11(6-8(7)2)14(4)12(15)9(3)13-10/h5-6H,1-4H3.
What are the key properties of 1,3,6,7-tetramethylquinoxalin-2-one?
1,3,6,7-tetramethylquinoxalin-2-one has a molecular weight of 202.26 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,7-tetramethylquinoxalin-2-one is sourced from PubChem (CID 848831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).