3,3,4,7-tetramethyl-1H-quinoxalin-2-one

C12H16N2O — CID 79291288

IUPAC3,3,4,7-tetramethyl-1H-quinoxalin-2-one
SMILESCc1ccc2c(c1)NC(=O)C(C)(C)N2C
InChIInChI=1S/C12H16N2O/c1-8-5-6-10-9(7-8)13-11(15)12(2,3)14(10)4/h5-7H,1-4H3,(H,13,15)
InChIKeyMBGFDLFEZGTFSG-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.16
Rot. Bonds

About 3,3,4,7-tetramethyl-1H-quinoxalin-2-one

3,3,4,7-tetramethyl-1H-quinoxalin-2-one (PubChem CID 79291288) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3,3,4,7-tetramethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3,3,4,7-tetramethyl-1H-quinoxalin-2-one
PubChem CID79291288
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3,3,4,7-tetramethyl-1H-quinoxalin-2-one
SMILESCc1ccc2c(c1)NC(=O)C(C)(C)N2C
InChIInChI=1S/C12H16N2O/c1-8-5-6-10-9(7-8)13-11(15)12(2,3)14(10)4/h5-7H,1-4H3,(H,13,15)
InChIKeyMBGFDLFEZGTFSG-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,4,7-tetramethyl-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,4,7-tetramethyl-1H-quinoxalin-2-one?
The IUPAC name of 3,3,4,7-tetramethyl-1H-quinoxalin-2-one (CID 79291288) is 3,3,4,7-tetramethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 3,3,4,7-tetramethyl-1H-quinoxalin-2-one?
The canonical SMILES for 3,3,4,7-tetramethyl-1H-quinoxalin-2-one is Cc1ccc2c(c1)NC(=O)C(C)(C)N2C.
What is the InChIKey of 3,3,4,7-tetramethyl-1H-quinoxalin-2-one?
The InChIKey is MBGFDLFEZGTFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-5-6-10-9(7-8)13-11(15)12(2,3)14(10)4/h5-7H,1-4H3,(H,13,15).
What are the key properties of 3,3,4,7-tetramethyl-1H-quinoxalin-2-one?
3,3,4,7-tetramethyl-1H-quinoxalin-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,7-tetramethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 79291288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).