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

C21H20N2O5 — CID 8657144

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)c(OC)c1
InChIInChI=1S/C21H20N2O5/c1-12-13(2)23-18-9-14(5-8-17(18)22-12)21(25)28-11-19(24)16-7-6-15(26-3)10-20(16)27-4/h5-10H,11H2,1-4H3
InChIKeyVNBZDOQLGXPPHI-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.30
Rot. Bonds6

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

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 8657144) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID8657144
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)c(OC)c1
InChIInChI=1S/C21H20N2O5/c1-12-13(2)23-18-9-14(5-8-17(18)22-12)21(25)28-11-19(24)16-7-6-15(26-3)10-20(16)27-4/h5-10H,11H2,1-4H3
InChIKeyVNBZDOQLGXPPHI-UHFFFAOYSA-N
XLogP3.30
TPSA87.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7864763
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23993413
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501210
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133589
[2-(2-chlorophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656943
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-phenylbenzoate
CID 2520644
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-butoxy-3-methoxybenzoate
CID 42970701
[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 55510424
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2637857
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 18077538
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833977
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8722061

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate (CID 8657144) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate is COc1ccc(C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is VNBZDOQLGXPPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-12-13(2)23-18-9-14(5-8-17(18)22-12)21(25)28-11-19(24)16-7-6-15(26-3)10-20(16)27-4/h5-10H,11H2,1-4H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 8657144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).