4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid

C12H7NO3S — CID 50941753

IUPAC4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
InChIInChI=1S/C12H7NO3S/c14-11-8-3-4-17-10(8)7-2-1-6(12(15)16)5-9(7)13-11/h1-5H,(H,13,14)(H,15,16)
InChIKeySIINIMHTUGVQHA-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.44
Rot. Bonds1

About 4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid

4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid (PubChem CID 50941753) has the molecular formula C12H7NO3S and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid
PubChem CID50941753
Molecular FormulaC12H7NO3S
Molecular Weight245.26 g/mol
Exact Mass245.01
IUPAC Name4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)[nH]c(=O)c1ccsc12
InChIInChI=1S/C12H7NO3S/c14-11-8-3-4-17-10(8)7-2-1-6(12(15)16)5-9(7)13-11/h1-5H,(H,13,14)(H,15,16)
InChIKeySIINIMHTUGVQHA-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 4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid (CID 50941753) is 4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)[nH]c(=O)c1ccsc12.
What is the InChIKey of 4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid?
The InChIKey is SIINIMHTUGVQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO3S/c14-11-8-3-4-17-10(8)7-2-1-6(12(15)16)5-9(7)13-11/h1-5H,(H,13,14)(H,15,16).
What are the key properties of 4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid?
4-oxo-5H-thieno[3,2-c]quinoline-7-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 4-oxo-5H-thieno[3,2-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 50941753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).