7-methoxy-4-methyl-1H-quinoline-2-thione

C11H11NOS — CID 676907

IUPAC7-methoxy-4-methyl-1H-quinoline-2-thione
SMILESCOc1ccc2c(C)cc(=S)[nH]c2c1
InChIInChI=1S/C11H11NOS/c1-7-5-11(14)12-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3,(H,12,14)
InChIKeyQJNQZUVUCGOPFS-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.21
Rot. Bonds1

About 7-methoxy-4-methyl-1H-quinoline-2-thione

7-methoxy-4-methyl-1H-quinoline-2-thione (PubChem CID 676907) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 7-methoxy-4-methyl-1H-quinoline-2-thione.

Molecular Properties

Compound Name7-methoxy-4-methyl-1H-quinoline-2-thione
PubChem CID676907
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name7-methoxy-4-methyl-1H-quinoline-2-thione
SMILESCOc1ccc2c(C)cc(=S)[nH]c2c1
InChIInChI=1S/C11H11NOS/c1-7-5-11(14)12-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3,(H,12,14)
InChIKeyQJNQZUVUCGOPFS-UHFFFAOYSA-N
XLogP3.21
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-methoxy-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 7-methoxy-4-methyl-1H-quinoline-2-thione?
The IUPAC name of 7-methoxy-4-methyl-1H-quinoline-2-thione (CID 676907) is 7-methoxy-4-methyl-1H-quinoline-2-thione.
What is the SMILES notation for 7-methoxy-4-methyl-1H-quinoline-2-thione?
The canonical SMILES for 7-methoxy-4-methyl-1H-quinoline-2-thione is COc1ccc2c(C)cc(=S)[nH]c2c1.
What is the InChIKey of 7-methoxy-4-methyl-1H-quinoline-2-thione?
The InChIKey is QJNQZUVUCGOPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-7-5-11(14)12-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3,(H,12,14).
What are the key properties of 7-methoxy-4-methyl-1H-quinoline-2-thione?
7-methoxy-4-methyl-1H-quinoline-2-thione has a molecular weight of 205.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-1H-quinoline-2-thione is sourced from PubChem (CID 676907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).