5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione

C13H15NO3S — CID 10659352

IUPAC5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione
SMILESCOc1cc(OC)c2[nH]c(=S)cc(C)c2c1OC
InChIInChI=1S/C13H15NO3S/c1-7-5-10(18)14-12-8(15-2)6-9(16-3)13(17-4)11(7)12/h5-6H,1-4H3,(H,14,18)
InChIKeyYKNWIROWNHYZRS-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.23
Rot. Bonds3

About 5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione

5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione (PubChem CID 10659352) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione.

Molecular Properties

Compound Name5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione
PubChem CID10659352
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione
SMILESCOc1cc(OC)c2[nH]c(=S)cc(C)c2c1OC
InChIInChI=1S/C13H15NO3S/c1-7-5-10(18)14-12-8(15-2)6-9(16-3)13(17-4)11(7)12/h5-6H,1-4H3,(H,14,18)
InChIKeyYKNWIROWNHYZRS-UHFFFAOYSA-N
XLogP3.23
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione?
The IUPAC name of 5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione (CID 10659352) is 5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione.
What is the SMILES notation for 5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione?
The canonical SMILES for 5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione is COc1cc(OC)c2[nH]c(=S)cc(C)c2c1OC.
What is the InChIKey of 5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione?
The InChIKey is YKNWIROWNHYZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-7-5-10(18)14-12-8(15-2)6-9(16-3)13(17-4)11(7)12/h5-6H,1-4H3,(H,14,18).
What are the key properties of 5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione?
5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione has a molecular weight of 265.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trimethoxy-4-methyl-1H-quinoline-2-thione is sourced from PubChem (CID 10659352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).