2-(pyridin-2-ylmethylsulfanyl)quinoline

C15H12N2S — CID 19850809

IUPAC2-(pyridin-2-ylmethylsulfanyl)quinoline
SMILESc1ccc(CSc2ccc3ccccc3n2)nc1
InChIInChI=1S/C15H12N2S/c1-2-7-14-12(5-1)8-9-15(17-14)18-11-13-6-3-4-10-16-13/h1-10H,11H2
InChIKeyIKIHSOFFBZLGSV-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.92
Rot. Bonds3

About 2-(pyridin-2-ylmethylsulfanyl)quinoline

2-(pyridin-2-ylmethylsulfanyl)quinoline (PubChem CID 19850809) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylsulfanyl)quinoline.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylsulfanyl)quinoline
PubChem CID19850809
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name2-(pyridin-2-ylmethylsulfanyl)quinoline
SMILESc1ccc(CSc2ccc3ccccc3n2)nc1
InChIInChI=1S/C15H12N2S/c1-2-7-14-12(5-1)8-9-15(17-14)18-11-13-6-3-4-10-16-13/h1-10H,11H2
InChIKeyIKIHSOFFBZLGSV-UHFFFAOYSA-N
XLogP3.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
CID 86021150
6-(pyridin-2-ylmethylsulfanyl)pyridazin-3-amine
CID 15032613
2-[(3,5-difluorophenyl)methylsulfanyl]quinoline
CID 135186490
2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride
CID 13058753
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
2-(pyridin-2-ylsulfanylmethyl)quinazoline
CID 156587667
2-quinolin-2-ylsulfanylacetamide
CID 2056006
3-(quinolin-2-ylsulfanylmethyl)benzonitrile
CID 7754771
N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine
CID 79239819
4-(quinolin-2-ylmethylsulfanyl)quinazoline
CID 6919194
3-quinolin-2-ylsulfanylpropanoic acid
CID 661670
4,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 19850830

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethylsulfanyl)quinoline?
The IUPAC name of 2-(pyridin-2-ylmethylsulfanyl)quinoline (CID 19850809) is 2-(pyridin-2-ylmethylsulfanyl)quinoline.
What is the SMILES notation for 2-(pyridin-2-ylmethylsulfanyl)quinoline?
The canonical SMILES for 2-(pyridin-2-ylmethylsulfanyl)quinoline is c1ccc(CSc2ccc3ccccc3n2)nc1.
What is the InChIKey of 2-(pyridin-2-ylmethylsulfanyl)quinoline?
The InChIKey is IKIHSOFFBZLGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-2-7-14-12(5-1)8-9-15(17-14)18-11-13-6-3-4-10-16-13/h1-10H,11H2.
What are the key properties of 2-(pyridin-2-ylmethylsulfanyl)quinoline?
2-(pyridin-2-ylmethylsulfanyl)quinoline has a molecular weight of 252.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethylsulfanyl)quinoline is sourced from PubChem (CID 19850809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).