[2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate

C21H19N3O4 — CID 8656999

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)cc1
InChIInChI=1S/C21H19N3O4/c1-12-13(2)23-19-10-16(6-9-18(19)22-12)21(27)28-11-20(26)15-4-7-17(8-5-15)24-14(3)25/h4-10H,11H2,1-3H3,(H,24,25)
InChIKeyXQLGVPZSOLTBHY-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.24
Rot. Bonds5

About [2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate

[2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 8656999) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID8656999
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)cc1
InChIInChI=1S/C21H19N3O4/c1-12-13(2)23-19-10-16(6-9-18(19)22-12)21(27)28-11-20(26)15-4-7-17(8-5-15)24-14(3)25/h4-10H,11H2,1-3H3,(H,24,25)
InChIKeyXQLGVPZSOLTBHY-UHFFFAOYSA-N
XLogP3.24
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-acetamidophenyl)-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708822
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656703
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18230047
[2-(2-chlorophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656943
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8722061
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7717162
[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 55510424
[2-(4-acetamidophenyl)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520958
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656670
[2-(4-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677388
[2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23744301
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8657144

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate (CID 8656999) is [2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate is CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is XQLGVPZSOLTBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-12-13(2)23-19-10-16(6-9-18(19)22-12)21(27)28-11-20(26)15-4-7-17(8-5-15)24-14(3)25/h4-10H,11H2,1-3H3,(H,24,25).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate?
[2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 377.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 8656999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).