8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline

C19H19NOS — CID 46302811

IUPAC8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline
SMILESCOc1cccc2c(C)cc(SCc3cccc(C)c3)nc12
InChIInChI=1S/C19H19NOS/c1-13-6-4-7-15(10-13)12-22-18-11-14(2)16-8-5-9-17(21-3)19(16)20-18/h4-11H,12H2,1-3H3
InChIKeyYRCDFCDIRBMPSX-UHFFFAOYSA-N
MW309.43 g/mol
LogP5.15
Rot. Bonds4

About 8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline

8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline (PubChem CID 46302811) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is 8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline.

Molecular Properties

Compound Name8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline
PubChem CID46302811
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC Name8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline
SMILESCOc1cccc2c(C)cc(SCc3cccc(C)c3)nc12
InChIInChI=1S/C19H19NOS/c1-13-6-4-7-15(10-13)12-22-18-11-14(2)16-8-5-9-17(21-3)19(16)20-18/h4-11H,12H2,1-3H3
InChIKeyYRCDFCDIRBMPSX-UHFFFAOYSA-N
XLogP5.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.43
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline?
The IUPAC name of 8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline (CID 46302811) is 8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline.
What is the SMILES notation for 8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline?
The canonical SMILES for 8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline is COc1cccc2c(C)cc(SCc3cccc(C)c3)nc12.
What is the InChIKey of 8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline?
The InChIKey is YRCDFCDIRBMPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS/c1-13-6-4-7-15(10-13)12-22-18-11-14(2)16-8-5-9-17(21-3)19(16)20-18/h4-11H,12H2,1-3H3.
What are the key properties of 8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline?
8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline has a molecular weight of 309.43 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline is sourced from PubChem (CID 46302811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).