6-methoxy-4-methyl-2-methylsulfanylquinoline

C12H13NOS — CID 942030

IUPAC6-methoxy-4-methyl-2-methylsulfanylquinoline
SMILESCOc1ccc2nc(SC)cc(C)c2c1
InChIInChI=1S/C12H13NOS/c1-8-6-12(15-3)13-11-5-4-9(14-2)7-10(8)11/h4-7H,1-3H3
InChIKeyGYSLQENKUWHSLB-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.27
Rot. Bonds2

About 6-methoxy-4-methyl-2-methylsulfanylquinoline

6-methoxy-4-methyl-2-methylsulfanylquinoline (PubChem CID 942030) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 6-methoxy-4-methyl-2-methylsulfanylquinoline.

Molecular Properties

Compound Name6-methoxy-4-methyl-2-methylsulfanylquinoline
PubChem CID942030
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name6-methoxy-4-methyl-2-methylsulfanylquinoline
SMILESCOc1ccc2nc(SC)cc(C)c2c1
InChIInChI=1S/C12H13NOS/c1-8-6-12(15-3)13-11-5-4-9(14-2)7-10(8)11/h4-7H,1-3H3
InChIKeyGYSLQENKUWHSLB-UHFFFAOYSA-N
XLogP3.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-2-methylsulfanylquinoline?
The IUPAC name of 6-methoxy-4-methyl-2-methylsulfanylquinoline (CID 942030) is 6-methoxy-4-methyl-2-methylsulfanylquinoline.
What is the SMILES notation for 6-methoxy-4-methyl-2-methylsulfanylquinoline?
The canonical SMILES for 6-methoxy-4-methyl-2-methylsulfanylquinoline is COc1ccc2nc(SC)cc(C)c2c1.
What is the InChIKey of 6-methoxy-4-methyl-2-methylsulfanylquinoline?
The InChIKey is GYSLQENKUWHSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-6-12(15-3)13-11-5-4-9(14-2)7-10(8)11/h4-7H,1-3H3.
What are the key properties of 6-methoxy-4-methyl-2-methylsulfanylquinoline?
6-methoxy-4-methyl-2-methylsulfanylquinoline has a molecular weight of 219.31 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-2-methylsulfanylquinoline is sourced from PubChem (CID 942030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).