7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one

C11H7NO4S — CID 53472349

IUPAC7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2cc(O)c(O)c(O)c2c2ccsc12
InChIInChI=1S/C11H7NO4S/c13-6-3-5-7(9(15)8(6)14)4-1-2-17-10(4)11(16)12-5/h1-3,13-15H,(H,12,16)
InChIKeyOLYOORKNESCLTH-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.86
Rot. Bonds

About 7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one

7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 53472349) has the molecular formula C11H7NO4S and a molecular weight of 249.25 g/mol. Its IUPAC name is 7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID53472349
Molecular FormulaC11H7NO4S
Molecular Weight249.25 g/mol
Exact Mass249.01
IUPAC Name7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESO=c1[nH]c2cc(O)c(O)c(O)c2c2ccsc12
InChIInChI=1S/C11H7NO4S/c13-6-3-5-7(9(15)8(6)14)4-1-2-17-10(4)11(16)12-5/h1-3,13-15H,(H,12,16)
InChIKeyOLYOORKNESCLTH-UHFFFAOYSA-N
XLogP1.86
TPSA93.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 53472349) is 7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one is O=c1[nH]c2cc(O)c(O)c(O)c2c2ccsc12.
What is the InChIKey of 7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is OLYOORKNESCLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4S/c13-6-3-5-7(9(15)8(6)14)4-1-2-17-10(4)11(16)12-5/h1-3,13-15H,(H,12,16).
What are the key properties of 7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one?
7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 249.25 g/mol, XLogP of 1.86, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9-trihydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 53472349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).