2-(7-chloroquinolin-4-yl)sulfanylphenol

C15H10ClNOS — CID 62026689

IUPAC2-(7-chloroquinolin-4-yl)sulfanylphenol
SMILESOc1ccccc1Sc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H10ClNOS/c16-10-5-6-11-12(9-10)17-8-7-14(11)19-15-4-2-1-3-13(15)18/h1-9,18H
InChIKeyVEXISBNLJGKTOD-UHFFFAOYSA-N
MW287.77 g/mol
LogP4.74
Rot. Bonds2

About 2-(7-chloroquinolin-4-yl)sulfanylphenol

2-(7-chloroquinolin-4-yl)sulfanylphenol (PubChem CID 62026689) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is 2-(7-chloroquinolin-4-yl)sulfanylphenol.

Molecular Properties

Compound Name2-(7-chloroquinolin-4-yl)sulfanylphenol
PubChem CID62026689
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC Name2-(7-chloroquinolin-4-yl)sulfanylphenol
SMILESOc1ccccc1Sc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H10ClNOS/c16-10-5-6-11-12(9-10)17-8-7-14(11)19-15-4-2-1-3-13(15)18/h1-9,18H
InChIKeyVEXISBNLJGKTOD-UHFFFAOYSA-N
XLogP4.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloroquinolin-4-yl)sulfanylphenol?
The IUPAC name of 2-(7-chloroquinolin-4-yl)sulfanylphenol (CID 62026689) is 2-(7-chloroquinolin-4-yl)sulfanylphenol.
What is the SMILES notation for 2-(7-chloroquinolin-4-yl)sulfanylphenol?
The canonical SMILES for 2-(7-chloroquinolin-4-yl)sulfanylphenol is Oc1ccccc1Sc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-(7-chloroquinolin-4-yl)sulfanylphenol?
The InChIKey is VEXISBNLJGKTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS/c16-10-5-6-11-12(9-10)17-8-7-14(11)19-15-4-2-1-3-13(15)18/h1-9,18H.
What are the key properties of 2-(7-chloroquinolin-4-yl)sulfanylphenol?
2-(7-chloroquinolin-4-yl)sulfanylphenol has a molecular weight of 287.77 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloroquinolin-4-yl)sulfanylphenol is sourced from PubChem (CID 62026689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).