9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid

C12H7NO3S — CID 58678000

IUPAC9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc3ccsc3c2c1=O
InChIInChI=1S/C12H7NO3S/c14-10-7(12(15)16)5-13-8-2-1-6-3-4-17-11(6)9(8)10/h1-5H,(H,13,14)(H,15,16)
InChIKeyBWGIVIJIIYSWNR-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.44
Rot. Bonds1

About 9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid

9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid (PubChem CID 58678000) has the molecular formula C12H7NO3S and a molecular weight of 245.26 g/mol. Its IUPAC name is 9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid
PubChem CID58678000
Molecular FormulaC12H7NO3S
Molecular Weight245.26 g/mol
Exact Mass245.01
IUPAC Name9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid
SMILESO=C(O)c1c[nH]c2ccc3ccsc3c2c1=O
InChIInChI=1S/C12H7NO3S/c14-10-7(12(15)16)5-13-8-2-1-6-3-4-17-11(6)9(8)10/h1-5H,(H,13,14)(H,15,16)
InChIKeyBWGIVIJIIYSWNR-UHFFFAOYSA-N
XLogP2.44
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid?
The IUPAC name of 9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid (CID 58678000) is 9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid.
What is the SMILES notation for 9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid?
The canonical SMILES for 9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid is O=C(O)c1c[nH]c2ccc3ccsc3c2c1=O.
What is the InChIKey of 9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid?
The InChIKey is BWGIVIJIIYSWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO3S/c14-10-7(12(15)16)5-13-8-2-1-6-3-4-17-11(6)9(8)10/h1-5H,(H,13,14)(H,15,16).
What are the key properties of 9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid?
9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid has a molecular weight of 245.26 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-6H-thieno[2,3-f]quinoline-8-carboxylic acid is sourced from PubChem (CID 58678000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).