[2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate

C22H22N2O5 — CID 7991043

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccc3c(c2)nc(C)c(=O)n3CC)cc1
InChIInChI=1S/C22H22N2O5/c1-4-24-19-11-8-16(12-18(19)23-14(3)21(24)26)22(27)29-13-20(25)15-6-9-17(10-7-15)28-5-2/h6-12H,4-5,13H2,1-3H3
InChIKeyUVDBMOBBWHBKKN-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.16
Rot. Bonds7

About [2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate

[2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate (PubChem CID 7991043) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
PubChem CID7991043
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccc3c(c2)nc(C)c(=O)n3CC)cc1
InChIInChI=1S/C22H22N2O5/c1-4-24-19-11-8-16(12-18(19)23-14(3)21(24)26)22(27)29-13-20(25)15-6-9-17(10-7-15)28-5-2/h6-12H,4-5,13H2,1-3H3
InChIKeyUVDBMOBBWHBKKN-UHFFFAOYSA-N
XLogP3.16
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methylsulfanylphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 32932722
2-(4-methoxyphenoxy)ethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990928
2-(4-methylphenoxy)ethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519097
(3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990724
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 8673815
[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 32932060
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
[2-(2-methoxyethylamino)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519039
[2-(naphthalen-2-ylamino)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7518959
3-oxobutan-2-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 46819421
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519009
[2-(4-ethoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676643

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate (CID 7991043) is [2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate is CCOc1ccc(C(=O)COC(=O)c2ccc3c(c2)nc(C)c(=O)n3CC)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The InChIKey is UVDBMOBBWHBKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-4-24-19-11-8-16(12-18(19)23-14(3)21(24)26)22(27)29-13-20(25)15-6-9-17(10-7-15)28-5-2/h6-12H,4-5,13H2,1-3H3.
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate has a molecular weight of 394.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate is sourced from PubChem (CID 7991043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).