6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline

C17H16N2OS — CID 856562

IUPAC6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline
SMILESCOc1ccc2nc(SCc3cccnc3)c(C)cc2c1
InChIInChI=1S/C17H16N2OS/c1-12-8-14-9-15(20-2)5-6-16(14)19-17(12)21-11-13-4-3-7-18-10-13/h3-10H,11H2,1-2H3
InChIKeyXIOHJNSTWKCJLQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.24
Rot. Bonds4

About 6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline

6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline (PubChem CID 856562) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline.

Molecular Properties

Compound Name6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline
PubChem CID856562
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline
SMILESCOc1ccc2nc(SCc3cccnc3)c(C)cc2c1
InChIInChI=1S/C17H16N2OS/c1-12-8-14-9-15(20-2)5-6-16(14)19-17(12)21-11-13-4-3-7-18-10-13/h3-10H,11H2,1-2H3
InChIKeyXIOHJNSTWKCJLQ-UHFFFAOYSA-N
XLogP4.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 48837550
2-(pyridin-3-ylmethylsulfanyl)quinoline-3-carbonitrile
CID 644883
3-[(7-methoxynaphthalen-2-yl)oxymethyl]pyridine
CID 166203848
1-(4-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)benzimidazole
CID 35165696
N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1176220
6-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 1454336
N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 3171524
(5Z)-3-(3,5-dimethylphenyl)-5-[(4-methoxyphenyl)methylidene]-2-(pyridin-3-ylmethylsulfanyl)imidazol-4-one
CID 35163914
5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen
CID 144774827
7-(4-methoxyphenyl)-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 15993375
2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 54803190
2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 42054101

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline?
The IUPAC name of 6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline (CID 856562) is 6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline.
What is the SMILES notation for 6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline?
The canonical SMILES for 6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline is COc1ccc2nc(SCc3cccnc3)c(C)cc2c1.
What is the InChIKey of 6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline?
The InChIKey is XIOHJNSTWKCJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-8-14-9-15(20-2)5-6-16(14)19-17(12)21-11-13-4-3-7-18-10-13/h3-10H,11H2,1-2H3.
What are the key properties of 6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline?
6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline has a molecular weight of 296.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-2-(pyridin-3-ylmethylsulfanyl)quinoline is sourced from PubChem (CID 856562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).