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

C14H11NO3S — CID 137369988

IUPAC5-acetyl-4H-thieno[3,2-c]quinoline-2-carboxylic acid
SMILESCC(=O)N1Cc2cc(C(=O)O)sc2-c2ccccc21
InChIInChI=1S/C14H11NO3S/c1-8(16)15-7-9-6-12(14(17)18)19-13(9)10-4-2-3-5-11(10)15/h2-6H,7H2,1H3,(H,17,18)
InChIKeyOQLXRGASCVWTJE-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.98
Rot. Bonds1

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

5-acetyl-4H-thieno[3,2-c]quinoline-2-carboxylic acid (PubChem CID 137369988) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-acetyl-4H-thieno[3,2-c]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-4H-thieno[3,2-c]quinoline-2-carboxylic acid
PubChem CID137369988
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name5-acetyl-4H-thieno[3,2-c]quinoline-2-carboxylic acid
SMILESCC(=O)N1Cc2cc(C(=O)O)sc2-c2ccccc21
InChIInChI=1S/C14H11NO3S/c1-8(16)15-7-9-6-12(14(17)18)19-13(9)10-4-2-3-5-11(10)15/h2-6H,7H2,1H3,(H,17,18)
InChIKeyOQLXRGASCVWTJE-UHFFFAOYSA-N
XLogP2.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4H-thieno[3,2-c]quinoline-2-carboxylic acid?
The IUPAC name of 5-acetyl-4H-thieno[3,2-c]quinoline-2-carboxylic acid (CID 137369988) is 5-acetyl-4H-thieno[3,2-c]quinoline-2-carboxylic acid.
What is the SMILES notation for 5-acetyl-4H-thieno[3,2-c]quinoline-2-carboxylic acid?
The canonical SMILES for 5-acetyl-4H-thieno[3,2-c]quinoline-2-carboxylic acid is CC(=O)N1Cc2cc(C(=O)O)sc2-c2ccccc21.
What is the InChIKey of 5-acetyl-4H-thieno[3,2-c]quinoline-2-carboxylic acid?
The InChIKey is OQLXRGASCVWTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S/c1-8(16)15-7-9-6-12(14(17)18)19-13(9)10-4-2-3-5-11(10)15/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 5-acetyl-4H-thieno[3,2-c]quinoline-2-carboxylic acid?
5-acetyl-4H-thieno[3,2-c]quinoline-2-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4H-thieno[3,2-c]quinoline-2-carboxylic acid is sourced from PubChem (CID 137369988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).