4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid

C13H16N2O3 — CID 84633101

IUPAC4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid
SMILESCC(=O)N1CC(C)(C)Nc2ccc(C(=O)O)cc21
InChIInChI=1S/C13H16N2O3/c1-8(16)15-7-13(2,3)14-10-5-4-9(12(17)18)6-11(10)15/h4-6,14H,7H2,1-3H3,(H,17,18)
InChIKeyRKSNPLYTINHWRS-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.94
Rot. Bonds1

About 4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid

4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid (PubChem CID 84633101) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid
PubChem CID84633101
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid
SMILESCC(=O)N1CC(C)(C)Nc2ccc(C(=O)O)cc21
InChIInChI=1S/C13H16N2O3/c1-8(16)15-7-13(2,3)14-10-5-4-9(12(17)18)6-11(10)15/h4-6,14H,7H2,1-3H3,(H,17,18)
InChIKeyRKSNPLYTINHWRS-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-3,3-dimethyl-2,4-dihydroquinoxalin-1-yl)ethanone
CID 82392213
3,3-dimethyl-2,4-dihydro-1,4-benzothiazine-7-carboxylic acid
CID 115096230
2,2-dimethyl-1,3-dihydroindole-5-carboxylic acid
CID 57324652
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]-7-carboxylic acid
CID 115100009
1-acetyl-4,4-dimethylimidazolidin-2-one
CID 121227039
3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxamide
CID 140737605
3,3-dimethyl-4-methylsulfonyl-1,2-dihydroquinoxaline-6-carboxylic acid
CID 84643395
1-(1-acetyl-3,3-dimethyl-2H-indol-6-yl)ethanone
CID 135066750
5-methyl-2-oxospiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclobutane]-7-carboxylic acid
CID 115100006
3,3-dimethyl-4,5-dihydro-2H-1,5-benzothiazepine-8-carboxylic acid
CID 115098822
4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol
CID 115095246

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid?
The IUPAC name of 4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid (CID 84633101) is 4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid.
What is the SMILES notation for 4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid?
The canonical SMILES for 4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid is CC(=O)N1CC(C)(C)Nc2ccc(C(=O)O)cc21.
What is the InChIKey of 4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid?
The InChIKey is RKSNPLYTINHWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(16)15-7-13(2,3)14-10-5-4-9(12(17)18)6-11(10)15/h4-6,14H,7H2,1-3H3,(H,17,18).
What are the key properties of 4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid?
4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2,2-dimethyl-1,3-dihydroquinoxaline-6-carboxylic acid is sourced from PubChem (CID 84633101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).