2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride

C18H18ClNO3S — CID 71891224

IUPAC2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride
SMILESCOCCOC(=O)c1c(C)nc2sccc2c1-c1ccccc1.Cl
InChIInChI=1S/C18H17NO3S.ClH/c1-12-15(18(20)22-10-9-21-2)16(13-6-4-3-5-7-13)14-8-11-23-17(14)19-12;/h3-8,11H,9-10H2,1-2H3;1H
InChIKeyJVADGLILFNEWAK-UHFFFAOYSA-N
MW363.87 g/mol
LogP4.50
Rot. Bonds5

About 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride

2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride (PubChem CID 71891224) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride
PubChem CID71891224
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride
SMILESCOCCOC(=O)c1c(C)nc2sccc2c1-c1ccccc1.Cl
InChIInChI=1S/C18H17NO3S.ClH/c1-12-15(18(20)22-10-9-21-2)16(13-6-4-3-5-7-13)14-8-11-23-17(14)19-12;/h3-8,11H,9-10H2,1-2H3;1H
InChIKeyJVADGLILFNEWAK-UHFFFAOYSA-N
XLogP4.50
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride?
The IUPAC name of 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride (CID 71891224) is 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride.
What is the SMILES notation for 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride?
The canonical SMILES for 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride is COCCOC(=O)c1c(C)nc2sccc2c1-c1ccccc1.Cl.
What is the InChIKey of 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride?
The InChIKey is JVADGLILFNEWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S.ClH/c1-12-15(18(20)22-10-9-21-2)16(13-6-4-3-5-7-13)14-8-11-23-17(14)19-12;/h3-8,11H,9-10H2,1-2H3;1H.
What are the key properties of 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride?
2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate;hydrochloride is sourced from PubChem (CID 71891224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).