[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate

C22H22N2O3 — CID 8656703

IUPAC[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1cc(C)c(C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)c(C)c1
InChIInChI=1S/C22H22N2O3/c1-12-8-13(2)21(14(3)9-12)20(25)11-27-22(26)17-6-7-18-19(10-17)24-16(5)15(4)23-18/h6-10H,11H2,1-5H3
InChIKeyJNNVARDPYRTRKV-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.21
Rot. Bonds4

About [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate

[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 8656703) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID8656703
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1cc(C)c(C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)c(C)c1
InChIInChI=1S/C22H22N2O3/c1-12-8-13(2)21(14(3)9-12)20(25)11-27-22(26)17-6-7-18-19(10-17)24-16(5)15(4)23-18/h6-10H,11H2,1-5H3
InChIKeyJNNVARDPYRTRKV-UHFFFAOYSA-N
XLogP4.21
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[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
[2-(4-acetamidophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656999
[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 55510424
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate
CID 2445149
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8657144
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18230047
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-nitrobenzoate
CID 7768454
2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate
CID 71944013
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7717059
[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 47009459
(4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 6459752

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate (CID 8656703) is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate is Cc1cc(C)c(C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is JNNVARDPYRTRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-12-8-13(2)21(14(3)9-12)20(25)11-27-22(26)17-6-7-18-19(10-17)24-16(5)15(4)23-18/h6-10H,11H2,1-5H3.
What are the key properties of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate?
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 8656703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).