7-chloro-2-(2-methylsulfanylpropyl)quinoline

C13H14ClNS — CID 143861620

IUPAC7-chloro-2-(2-methylsulfanylpropyl)quinoline
SMILESCSC(C)Cc1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C13H14ClNS/c1-9(16-2)7-12-6-4-10-3-5-11(14)8-13(10)15-12/h3-6,8-9H,7H2,1-2H3
InChIKeySJNGZCIIYBUDRM-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.18
Rot. Bonds3

About 7-chloro-2-(2-methylsulfanylpropyl)quinoline

7-chloro-2-(2-methylsulfanylpropyl)quinoline (PubChem CID 143861620) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 7-chloro-2-(2-methylsulfanylpropyl)quinoline.

Molecular Properties

Compound Name7-chloro-2-(2-methylsulfanylpropyl)quinoline
PubChem CID143861620
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name7-chloro-2-(2-methylsulfanylpropyl)quinoline
SMILESCSC(C)Cc1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C13H14ClNS/c1-9(16-2)7-12-6-4-10-3-5-11(14)8-13(10)15-12/h3-6,8-9H,7H2,1-2H3
InChIKeySJNGZCIIYBUDRM-UHFFFAOYSA-N
XLogP4.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-methylsulfanylpropyl)quinoline?
The IUPAC name of 7-chloro-2-(2-methylsulfanylpropyl)quinoline (CID 143861620) is 7-chloro-2-(2-methylsulfanylpropyl)quinoline.
What is the SMILES notation for 7-chloro-2-(2-methylsulfanylpropyl)quinoline?
The canonical SMILES for 7-chloro-2-(2-methylsulfanylpropyl)quinoline is CSC(C)Cc1ccc2ccc(Cl)cc2n1.
What is the InChIKey of 7-chloro-2-(2-methylsulfanylpropyl)quinoline?
The InChIKey is SJNGZCIIYBUDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-9(16-2)7-12-6-4-10-3-5-11(14)8-13(10)15-12/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 7-chloro-2-(2-methylsulfanylpropyl)quinoline?
7-chloro-2-(2-methylsulfanylpropyl)quinoline has a molecular weight of 251.78 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-methylsulfanylpropyl)quinoline is sourced from PubChem (CID 143861620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).