5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid

C14H11NO2S — CID 865770

IUPAC5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid
SMILESCc1ccc(C)c2nc3sc(C(=O)O)cc3cc12
InChIInChI=1S/C14H11NO2S/c1-7-3-4-8(2)12-10(7)5-9-6-11(14(16)17)18-13(9)15-12/h3-6H,1-2H3,(H,16,17)
InChIKeyYYTLACIFLNWFLC-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.76
Rot. Bonds1

About 5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid

5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid (PubChem CID 865770) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid
PubChem CID865770
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid
SMILESCc1ccc(C)c2nc3sc(C(=O)O)cc3cc12
InChIInChI=1S/C14H11NO2S/c1-7-3-4-8(2)12-10(7)5-9-6-11(14(16)17)18-13(9)15-12/h3-6H,1-2H3,(H,16,17)
InChIKeyYYTLACIFLNWFLC-UHFFFAOYSA-N
XLogP3.76
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid?
The IUPAC name of 5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid (CID 865770) is 5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid.
What is the SMILES notation for 5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid?
The canonical SMILES for 5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid is Cc1ccc(C)c2nc3sc(C(=O)O)cc3cc12.
What is the InChIKey of 5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid?
The InChIKey is YYTLACIFLNWFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c1-7-3-4-8(2)12-10(7)5-9-6-11(14(16)17)18-13(9)15-12/h3-6H,1-2H3,(H,16,17).
What are the key properties of 5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid?
5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethylthieno[2,3-b]quinoline-2-carboxylic acid is sourced from PubChem (CID 865770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).