6-ethylthieno[2,3-b]quinoline-2-carboxylic acid

C14H11NO2S — CID 1133184

IUPAC6-ethylthieno[2,3-b]quinoline-2-carboxylic acid
SMILESCCc1ccc2nc3sc(C(=O)O)cc3cc2c1
InChIInChI=1S/C14H11NO2S/c1-2-8-3-4-11-9(5-8)6-10-7-12(14(16)17)18-13(10)15-11/h3-7H,2H2,1H3,(H,16,17)
InChIKeyZCIFZNUDMJXZDI-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.71
Rot. Bonds2

About 6-ethylthieno[2,3-b]quinoline-2-carboxylic acid

6-ethylthieno[2,3-b]quinoline-2-carboxylic acid (PubChem CID 1133184) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 6-ethylthieno[2,3-b]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-ethylthieno[2,3-b]quinoline-2-carboxylic acid
PubChem CID1133184
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name6-ethylthieno[2,3-b]quinoline-2-carboxylic acid
SMILESCCc1ccc2nc3sc(C(=O)O)cc3cc2c1
InChIInChI=1S/C14H11NO2S/c1-2-8-3-4-11-9(5-8)6-10-7-12(14(16)17)18-13(10)15-11/h3-7H,2H2,1H3,(H,16,17)
InChIKeyZCIFZNUDMJXZDI-UHFFFAOYSA-N
XLogP3.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethylthieno[2,3-b]quinoline-2-carboxylic acid?
The IUPAC name of 6-ethylthieno[2,3-b]quinoline-2-carboxylic acid (CID 1133184) is 6-ethylthieno[2,3-b]quinoline-2-carboxylic acid.
What is the SMILES notation for 6-ethylthieno[2,3-b]quinoline-2-carboxylic acid?
The canonical SMILES for 6-ethylthieno[2,3-b]quinoline-2-carboxylic acid is CCc1ccc2nc3sc(C(=O)O)cc3cc2c1.
What is the InChIKey of 6-ethylthieno[2,3-b]quinoline-2-carboxylic acid?
The InChIKey is ZCIFZNUDMJXZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-2-8-3-4-11-9(5-8)6-10-7-12(14(16)17)18-13(10)15-11/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 6-ethylthieno[2,3-b]quinoline-2-carboxylic acid?
6-ethylthieno[2,3-b]quinoline-2-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylthieno[2,3-b]quinoline-2-carboxylic acid is sourced from PubChem (CID 1133184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).