ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate

C17H22N2O4S — CID 22605733

IUPACethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cn(C)c2sc(CN3CCOCC3)c(C)c2c1=O
InChIInChI=1S/C17H22N2O4S/c1-4-23-17(21)12-9-18(3)16-14(15(12)20)11(2)13(24-16)10-19-5-7-22-8-6-19/h9H,4-8,10H2,1-3H3
InChIKeyXLQBBJJWGHGBNO-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.92
Rot. Bonds4

About ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate

ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate (PubChem CID 22605733) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate
PubChem CID22605733
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Nameethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cn(C)c2sc(CN3CCOCC3)c(C)c2c1=O
InChIInChI=1S/C17H22N2O4S/c1-4-23-17(21)12-9-18(3)16-14(15(12)20)11(2)13(24-16)10-19-5-7-22-8-6-19/h9H,4-8,10H2,1-3H3
InChIKeyXLQBBJJWGHGBNO-UHFFFAOYSA-N
XLogP1.92
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-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

3-[(4-chlorophenyl)methyl]-7-methyl-2-(morpholin-4-ylmethyl)-4-sulfanylidenethieno[2,3-b]pyridine-5-carboxamide
CID 154353114
ethane;ethyl 3-[2-methyl-5-(morpholin-4-ylmethyl)thiophen-3-yl]-3-oxopropanoate
CID 142016410
ethyl 6-bromo-1-(2-morpholin-4-ylethyl)-4-oxo-1,7-naphthyridine-3-carboxylate
CID 87918848
ethyl 2,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate
CID 19843279
ethyl 3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxylate;hydrofluoride
CID 142265544
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
2-morpholin-4-ylethyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate
CID 68605488
ethyl 4-methyl-2-(4-methylphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate
CID 979840
ethyl 4-chloro-5-methyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 2466476
ethyl 5-morpholin-4-ylthiophene-2-carboxylate
CID 10681573
ethyl 4-methyl-2-(4-methylphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxylate;hydrobromide
CID 44789661
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067

Frequently Asked Questions

What is the IUPAC name of ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate (CID 22605733) is ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate is CCOC(=O)c1cn(C)c2sc(CN3CCOCC3)c(C)c2c1=O.
What is the InChIKey of ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate?
The InChIKey is XLQBBJJWGHGBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-4-23-17(21)12-9-18(3)16-14(15(12)20)11(2)13(24-16)10-19-5-7-22-8-6-19/h9H,4-8,10H2,1-3H3.
What are the key properties of ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate?
ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 350.44 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,7-dimethyl-2-(morpholin-4-ylmethyl)-4-oxothieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 22605733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).