[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate

C19H17N3O5S — CID 7676739

IUPAC[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate
SMILESCOC(=O)c1c(NC(=O)COC(=O)c2ccc3nccnc3c2)sc(C)c1C
InChIInChI=1S/C19H17N3O5S/c1-10-11(2)28-17(16(10)19(25)26-3)22-15(23)9-27-18(24)12-4-5-13-14(8-12)21-7-6-20-13/h4-8H,9H2,1-3H3,(H,22,23)
InChIKeyKCTMFOUPUBUKAB-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.89
Rot. Bonds5

About [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate

[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate (PubChem CID 7676739) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate
PubChem CID7676739
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate
SMILESCOC(=O)c1c(NC(=O)COC(=O)c2ccc3nccnc3c2)sc(C)c1C
InChIInChI=1S/C19H17N3O5S/c1-10-11(2)28-17(16(10)19(25)26-3)22-15(23)9-27-18(24)12-4-5-13-14(8-12)21-7-6-20-13/h4-8H,9H2,1-3H3,(H,22,23)
InChIKeyKCTMFOUPUBUKAB-UHFFFAOYSA-N
XLogP2.89
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate with MolForge

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Related Compounds

methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2518559
methyl 2-[[2-[4-(methoxymethyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 30801108
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 31974666
[2-(4-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677388
methyl 2-[[2-[3-(4-acetylphenoxy)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 31655112
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7648180
methyl 2-[[2-(2-benzamidoacetyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7783102
methyl 2-[[2-(2-methoxyacetyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8018665
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] furan-2-carboxylate
CID 7814051
methyl 4,5-dimethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 2506792
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639760
diethyl 5-[[2-(4-methoxycarbonylbenzoyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 16506471

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate?
The IUPAC name of [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate (CID 7676739) is [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate.
What is the SMILES notation for [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate?
The canonical SMILES for [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate is COC(=O)c1c(NC(=O)COC(=O)c2ccc3nccnc3c2)sc(C)c1C.
What is the InChIKey of [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate?
The InChIKey is KCTMFOUPUBUKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-10-11(2)28-17(16(10)19(25)26-3)22-15(23)9-27-18(24)12-4-5-13-14(8-12)21-7-6-20-13/h4-8H,9H2,1-3H3,(H,22,23).
What are the key properties of [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate?
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate has a molecular weight of 399.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] quinoxaline-6-carboxylate is sourced from PubChem (CID 7676739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).