3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one

C14H20N2O — CID 115095581

IUPAC3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one
SMILESCc1cccc2c1NC(=O)C(C)(C)N2C(C)C
InChIInChI=1S/C14H20N2O/c1-9(2)16-11-8-6-7-10(3)12(11)15-13(17)14(16,4)5/h6-9H,1-5H3,(H,15,17)
InChIKeyTUGMJDIAYHDDSX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.94
Rot. Bonds1

About 3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one

3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one (PubChem CID 115095581) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one
PubChem CID115095581
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one
SMILESCc1cccc2c1NC(=O)C(C)(C)N2C(C)C
InChIInChI=1S/C14H20N2O/c1-9(2)16-11-8-6-7-10(3)12(11)15-13(17)14(16,4)5/h6-9H,1-5H3,(H,15,17)
InChIKeyTUGMJDIAYHDDSX-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098042
7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one
CID 115095648
3-(2,6-dimethylphenyl)-4-hydroxy-5,5-dimethyl-1-propan-2-ylpyrrol-2-one
CID 139859792
8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097371
8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one
CID 115095543
8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one
CID 115096627
1-ethyl-2,2-dimethyl-3-oxo-4H-quinoxaline-5-carboxylic acid
CID 113332344
1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
CID 114251655
3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione
CID 64874694
3,3-dimethyl-4-[2-(2-methylphenyl)sulfanylpropanoyl]-1H-quinoxalin-2-one
CID 60561671
5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097275
3,3-dimethyl-1-(2-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959285

Frequently Asked Questions

What is the IUPAC name of 3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one?
The IUPAC name of 3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one (CID 115095581) is 3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one.
What is the SMILES notation for 3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one?
The canonical SMILES for 3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one is Cc1cccc2c1NC(=O)C(C)(C)N2C(C)C.
What is the InChIKey of 3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one?
The InChIKey is TUGMJDIAYHDDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)16-11-8-6-7-10(3)12(11)15-13(17)14(16,4)5/h6-9H,1-5H3,(H,15,17).
What are the key properties of 3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one?
3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one is sourced from PubChem (CID 115095581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).