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

C12H6FNO2S — CID 44754716

IUPAC6-fluorothieno[2,3-b]quinoline-2-carboxylic acid
SMILESO=C(O)c1cc2cc3cc(F)ccc3nc2s1
InChIInChI=1S/C12H6FNO2S/c13-8-1-2-9-6(4-8)3-7-5-10(12(15)16)17-11(7)14-9/h1-5H,(H,15,16)
InChIKeyYKSXBLZXUWQCOU-UHFFFAOYSA-N
MW247.25 g/mol
LogP3.29
Rot. Bonds1

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

6-fluorothieno[2,3-b]quinoline-2-carboxylic acid (PubChem CID 44754716) has the molecular formula C12H6FNO2S and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-fluorothieno[2,3-b]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-fluorothieno[2,3-b]quinoline-2-carboxylic acid
PubChem CID44754716
Molecular FormulaC12H6FNO2S
Molecular Weight247.25 g/mol
Exact Mass247.01
IUPAC Name6-fluorothieno[2,3-b]quinoline-2-carboxylic acid
SMILESO=C(O)c1cc2cc3cc(F)ccc3nc2s1
InChIInChI=1S/C12H6FNO2S/c13-8-1-2-9-6(4-8)3-7-5-10(12(15)16)17-11(7)14-9/h1-5H,(H,15,16)
InChIKeyYKSXBLZXUWQCOU-UHFFFAOYSA-N
XLogP3.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluorothieno[2,3-b]quinoline-2-carboxylic acid?
The IUPAC name of 6-fluorothieno[2,3-b]quinoline-2-carboxylic acid (CID 44754716) is 6-fluorothieno[2,3-b]quinoline-2-carboxylic acid.
What is the SMILES notation for 6-fluorothieno[2,3-b]quinoline-2-carboxylic acid?
The canonical SMILES for 6-fluorothieno[2,3-b]quinoline-2-carboxylic acid is O=C(O)c1cc2cc3cc(F)ccc3nc2s1.
What is the InChIKey of 6-fluorothieno[2,3-b]quinoline-2-carboxylic acid?
The InChIKey is YKSXBLZXUWQCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FNO2S/c13-8-1-2-9-6(4-8)3-7-5-10(12(15)16)17-11(7)14-9/h1-5H,(H,15,16).
What are the key properties of 6-fluorothieno[2,3-b]quinoline-2-carboxylic acid?
6-fluorothieno[2,3-b]quinoline-2-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorothieno[2,3-b]quinoline-2-carboxylic acid is sourced from PubChem (CID 44754716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).