7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one

C15H9Cl2NO2S — CID 54705006

IUPAC7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1Sc1ccccc1Cl
InChIInChI=1S/C15H9Cl2NO2S/c16-8-5-6-9-11(7-8)18-15(20)14(13(9)19)21-12-4-2-1-3-10(12)17/h1-7H,(H2,18,19,20)
InChIKeySIJHQZHCHAPQLD-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.69
Rot. Bonds2

About 7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one

7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one (PubChem CID 54705006) has the molecular formula C15H9Cl2NO2S and a molecular weight of 338.22 g/mol. Its IUPAC name is 7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one
PubChem CID54705006
Molecular FormulaC15H9Cl2NO2S
Molecular Weight338.22 g/mol
Exact Mass336.97
IUPAC Name7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1Sc1ccccc1Cl
InChIInChI=1S/C15H9Cl2NO2S/c16-8-5-6-9-11(7-8)18-15(20)14(13(9)19)21-12-4-2-1-3-10(12)17/h1-7H,(H2,18,19,20)
InChIKeySIJHQZHCHAPQLD-UHFFFAOYSA-N
XLogP4.69
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one (CID 54705006) is 7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1Sc1ccccc1Cl.
What is the InChIKey of 7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one?
The InChIKey is SIJHQZHCHAPQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO2S/c16-8-5-6-9-11(7-8)18-15(20)14(13(9)19)21-12-4-2-1-3-10(12)17/h1-7H,(H2,18,19,20).
What are the key properties of 7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one?
7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one has a molecular weight of 338.22 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-chlorophenyl)sulfanyl-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54705006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).