ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate

C19H19NO3S — CID 140979552

IUPACethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2sc(C)c(C)c2c1-c1ccc(OC)cc1
InChIInChI=1S/C19H19NO3S/c1-5-23-19(21)15-10-20-18-16(11(2)12(3)24-18)17(15)13-6-8-14(22-4)9-7-13/h6-10H,5H2,1-4H3
InChIKeyLAOSHUYQCYXCRQ-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.77
Rot. Bonds4

About ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate

ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate (PubChem CID 140979552) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
PubChem CID140979552
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Nameethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2sc(C)c(C)c2c1-c1ccc(OC)cc1
InChIInChI=1S/C19H19NO3S/c1-5-23-19(21)15-10-20-18-16(11(2)12(3)24-18)17(15)13-6-8-14(22-4)9-7-13/h6-10H,5H2,1-4H3
InChIKeyLAOSHUYQCYXCRQ-UHFFFAOYSA-N
XLogP4.77
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate
CID 132851457
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
CID 25247878
ethyl 2-[[2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 40823906
1-[4-(4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 6539992
ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate
CID 162662540
ethyl 4-(3,5-dimethoxyphenyl)-6-methyl-5-(2,4,6-trifluorophenyl)pyridine-3-carboxylate
CID 67075835
ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
CID 9251221
ethyl 4-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
CID 108775340
ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183946
methyl 3-amino-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
CID 83971393

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate (CID 140979552) is ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2sc(C)c(C)c2c1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate?
The InChIKey is LAOSHUYQCYXCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-5-23-19(21)15-10-20-18-16(11(2)12(3)24-18)17(15)13-6-8-14(22-4)9-7-13/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate?
ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 341.43 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyphenyl)-2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 140979552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).