[2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate

C19H17N3O5 — CID 17417789

IUPAC[2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2cnc3ccccc3n2)c(OC)c1
InChIInChI=1S/C19H17N3O5/c1-25-12-7-8-15(17(9-12)26-2)22-18(23)11-27-19(24)16-10-20-13-5-3-4-6-14(13)21-16/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyAHDGDHDEASTOGN-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.44
Rot. Bonds6

About [2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate

[2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate (PubChem CID 17417789) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
PubChem CID17417789
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2cnc3ccccc3n2)c(OC)c1
InChIInChI=1S/C19H17N3O5/c1-25-12-7-8-15(17(9-12)26-2)22-18(23)11-27-19(24)16-10-20-13-5-3-4-6-14(13)21-16/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyAHDGDHDEASTOGN-UHFFFAOYSA-N
XLogP2.44
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-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-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 23859774
[1-(2,4-dimethoxyanilino)-1-oxobutan-2-yl] quinoxaline-2-carboxylate
CID 23860497
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
[2-(2,4-dimethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23915616
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 7838043
[2-oxo-2-(2-phenylanilino)ethyl] quinoxaline-2-carboxylate
CID 30031920
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23859831
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596368
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 46676241
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983616
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605697
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2645350

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
The IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate (CID 17417789) is [2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
The canonical SMILES for [2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate is COc1ccc(NC(=O)COC(=O)c2cnc3ccccc3n2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
The InChIKey is AHDGDHDEASTOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-25-12-7-8-15(17(9-12)26-2)22-18(23)11-27-19(24)16-10-20-13-5-3-4-6-14(13)21-16/h3-10H,11H2,1-2H3,(H,22,23).
What are the key properties of [2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
[2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate has a molecular weight of 367.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate is sourced from PubChem (CID 17417789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).