7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline

C15H9ClN4S — CID 9110629

IUPAC7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline
SMILESClc1ccc2c(Sc3nnc4ccccn34)ccnc2c1
InChIInChI=1S/C15H9ClN4S/c16-10-4-5-11-12(9-10)17-7-6-13(11)21-15-19-18-14-3-1-2-8-20(14)15/h1-9H
InChIKeyHKIAYKLDNNAUSA-UHFFFAOYSA-N
MW312.79 g/mol
LogP4.08
Rot. Bonds2

About 7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline

7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline (PubChem CID 9110629) has the molecular formula C15H9ClN4S and a molecular weight of 312.79 g/mol. Its IUPAC name is 7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline.

Molecular Properties

Compound Name7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline
PubChem CID9110629
Molecular FormulaC15H9ClN4S
Molecular Weight312.79 g/mol
Exact Mass312.02
IUPAC Name7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline
SMILESClc1ccc2c(Sc3nnc4ccccn34)ccnc2c1
InChIInChI=1S/C15H9ClN4S/c16-10-4-5-11-12(9-10)17-7-6-13(11)21-15-19-18-14-3-1-2-8-20(14)15/h1-9H
InChIKeyHKIAYKLDNNAUSA-UHFFFAOYSA-N
XLogP4.08
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.79
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline?
The IUPAC name of 7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline (CID 9110629) is 7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline.
What is the SMILES notation for 7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline?
The canonical SMILES for 7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline is Clc1ccc2c(Sc3nnc4ccccn34)ccnc2c1.
What is the InChIKey of 7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline?
The InChIKey is HKIAYKLDNNAUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4S/c16-10-4-5-11-12(9-10)17-7-6-13(11)21-15-19-18-14-3-1-2-8-20(14)15/h1-9H.
What are the key properties of 7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline?
7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline has a molecular weight of 312.79 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline is sourced from PubChem (CID 9110629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).