3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid

C20H20N2O4S — CID 139651729

IUPAC3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1-c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C20H20N2O4S/c23-20(24)18-17(16-2-1-7-21-19(16)27-18)14-3-5-15(6-4-14)26-13-10-22-8-11-25-12-9-22/h1-7H,8-13H2,(H,23,24)
InChIKeyFMDSDTLYYZEMRC-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.37
Rot. Bonds6

About 3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid

3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 139651729) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID139651729
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1-c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C20H20N2O4S/c23-20(24)18-17(16-2-1-7-21-19(16)27-18)14-3-5-15(6-4-14)26-13-10-22-8-11-25-12-9-22/h1-7H,8-13H2,(H,23,24)
InChIKeyFMDSDTLYYZEMRC-UHFFFAOYSA-N
XLogP3.37
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651716
7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 21084005
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide
CID 98007458
N-benzyl-5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridine-2-carboxamide;dihydrochloride
CID 163320860
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 10475997
4-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl]morpholine
CID 57448270
4-methyl-2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylic acid
CID 22682033
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 15086407

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid (CID 139651729) is 3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1sc2ncccc2c1-c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is FMDSDTLYYZEMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c23-20(24)18-17(16-2-1-7-21-19(16)27-18)14-3-5-15(6-4-14)26-13-10-22-8-11-25-12-9-22/h1-7H,8-13H2,(H,23,24).
What are the key properties of 3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid?
3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 384.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 139651729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).