4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid

C20H14N2O3S — CID 53325887

IUPAC4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sccc2c(Nc2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C20H14N2O3S/c23-20(24)17-12-18-16(9-10-26-18)19(22-17)21-13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H,21,22)(H,23,24)
InChIKeyBCALOKFZHDVXBA-UHFFFAOYSA-N
MW362.41 g/mol
LogP5.53
Rot. Bonds5

About 4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid

4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid (PubChem CID 53325887) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid
PubChem CID53325887
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sccc2c(Nc2cccc(Oc3ccccc3)c2)n1
InChIInChI=1S/C20H14N2O3S/c23-20(24)17-12-18-16(9-10-26-18)19(22-17)21-13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H,21,22)(H,23,24)
InChIKeyBCALOKFZHDVXBA-UHFFFAOYSA-N
XLogP5.53
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid (CID 53325887) is 4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid is O=C(O)c1cc2sccc2c(Nc2cccc(Oc3ccccc3)c2)n1.
What is the InChIKey of 4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The InChIKey is BCALOKFZHDVXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c23-20(24)17-12-18-16(9-10-26-18)19(22-17)21-13-5-4-8-15(11-13)25-14-6-2-1-3-7-14/h1-12H,(H,21,22)(H,23,24).
What are the key properties of 4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid has a molecular weight of 362.41 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenoxyanilino)thieno[3,2-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 53325887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).