1,3,3,4-tetramethylquinoxalin-2-one

C12H16N2O — CID 121015533

IUPAC1,3,3,4-tetramethylquinoxalin-2-one
SMILESCN1C(=O)C(C)(C)N(C)c2ccccc21
InChIInChI=1S/C12H16N2O/c1-12(2)11(15)13(3)9-7-5-6-8-10(9)14(12)4/h5-8H,1-4H3
InChIKeyFMIVVPUTJVDVMS-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.88
Rot. Bonds

About 1,3,3,4-tetramethylquinoxalin-2-one

1,3,3,4-tetramethylquinoxalin-2-one (PubChem CID 121015533) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,3,3,4-tetramethylquinoxalin-2-one.

Molecular Properties

Compound Name1,3,3,4-tetramethylquinoxalin-2-one
PubChem CID121015533
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1,3,3,4-tetramethylquinoxalin-2-one
SMILESCN1C(=O)C(C)(C)N(C)c2ccccc21
InChIInChI=1S/C12H16N2O/c1-12(2)11(15)13(3)9-7-5-6-8-10(9)14(12)4/h5-8H,1-4H3
InChIKeyFMIVVPUTJVDVMS-UHFFFAOYSA-N
XLogP1.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15056385
1,3',3'-trimethylspiro[indole-3,2'-oxirane]-2-one
CID 102309588
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
2,2-difluoro-4-methyl-1,4-benzoxazin-3-one
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CID 172764776
3-(2-methoxyphenyl)-1,5,5-trimethylimidazolidine-2,4-dione
CID 62819757
ethane;(5R)-1,2,2,4,5-pentamethyl-6,7-dihydro-5H-1,4-benzodiazonin-3-one
CID 54156679
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
(1S,2aR)-1,2a,4-trimethyl-3-oxo-2H-azeto[1,2-a]quinoxaline-1-carbonitrile
CID 124861072

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4-tetramethylquinoxalin-2-one?
The IUPAC name of 1,3,3,4-tetramethylquinoxalin-2-one (CID 121015533) is 1,3,3,4-tetramethylquinoxalin-2-one.
What is the SMILES notation for 1,3,3,4-tetramethylquinoxalin-2-one?
The canonical SMILES for 1,3,3,4-tetramethylquinoxalin-2-one is CN1C(=O)C(C)(C)N(C)c2ccccc21.
What is the InChIKey of 1,3,3,4-tetramethylquinoxalin-2-one?
The InChIKey is FMIVVPUTJVDVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2)11(15)13(3)9-7-5-6-8-10(9)14(12)4/h5-8H,1-4H3.
What are the key properties of 1,3,3,4-tetramethylquinoxalin-2-one?
1,3,3,4-tetramethylquinoxalin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4-tetramethylquinoxalin-2-one is sourced from PubChem (CID 121015533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).