diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate

C16H19NO5S — CID 622237

IUPACdiethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1sc2c(c1C)c(=O)c(C(=O)OCC)cn2CC
InChIInChI=1S/C16H19NO5S/c1-5-17-8-10(15(19)21-6-2)12(18)11-9(4)13(23-14(11)17)16(20)22-7-3/h8H,5-7H2,1-4H3
InChIKeyLBNIONXZNRDQCF-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.74
Rot. Bonds5

About diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate

diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate (PubChem CID 622237) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate
PubChem CID622237
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Namediethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate
SMILESCCOC(=O)c1sc2c(c1C)c(=O)c(C(=O)OCC)cn2CC
InChIInChI=1S/C16H19NO5S/c1-5-17-8-10(15(19)21-6-2)12(18)11-9(4)13(23-14(11)17)16(20)22-7-3/h8H,5-7H2,1-4H3
InChIKeyLBNIONXZNRDQCF-UHFFFAOYSA-N
XLogP2.74
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-ethyl-6,7,8-trifluoro-5-methyl-4-oxoquinoline-3-carboxylate
CID 14651269
ethyl 1-ethyl-5,6-dihydroxy-4-oxoquinoline-3-carboxylate
CID 86732826
ethyl 3-bromo-4-ethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate
CID 14913285
ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90120654
ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)
CID 20794343
ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate
CID 22605733
ethyl 1-(2-bromoethyl)-6,7,8-trifluoro-5-methyl-4-oxoquinoline-3-carboxylate
CID 14774106
ethyl 1-ethyl-5-hydroxy-6-[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylate
CID 86732827
ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate
CID 19843279
ethyl 4,7-diacetyl-3-methyl-1-benzothiophene-2-carboxylate
CID 118658260
(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid
CID 140944007
ethyl 3-ethyl-7-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate
CID 70033432

Frequently Asked Questions

What is the IUPAC name of diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate?
The IUPAC name of diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate (CID 622237) is diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate.
What is the SMILES notation for diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate?
The canonical SMILES for diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate is CCOC(=O)c1sc2c(c1C)c(=O)c(C(=O)OCC)cn2CC.
What is the InChIKey of diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate?
The InChIKey is LBNIONXZNRDQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-5-17-8-10(15(19)21-6-2)12(18)11-9(4)13(23-14(11)17)16(20)22-7-3/h8H,5-7H2,1-4H3.
What are the key properties of diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate?
diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate has a molecular weight of 337.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 7-ethyl-3-methyl-4-oxothieno[2,3-b]pyridine-2,5-dicarboxylate is sourced from PubChem (CID 622237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).