5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one

C14H8Cl2N2O2S — CID 70097840

IUPAC5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)cc(Cl)c2c(O)c1Sc1ccccn1
InChIInChI=1S/C14H8Cl2N2O2S/c15-7-5-8(16)11-9(6-7)18-14(20)13(12(11)19)21-10-3-1-2-4-17-10/h1-6H,(H2,18,19,20)
InChIKeyBNRLXJHSCJDXOT-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.09
Rot. Bonds2

About 5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one

5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one (PubChem CID 70097840) has the molecular formula C14H8Cl2N2O2S and a molecular weight of 339.20 g/mol. Its IUPAC name is 5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one
PubChem CID70097840
Molecular FormulaC14H8Cl2N2O2S
Molecular Weight339.20 g/mol
Exact Mass337.97
IUPAC Name5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)cc(Cl)c2c(O)c1Sc1ccccn1
InChIInChI=1S/C14H8Cl2N2O2S/c15-7-5-8(16)11-9(6-7)18-14(20)13(12(11)19)21-10-3-1-2-4-17-10/h1-6H,(H2,18,19,20)
InChIKeyBNRLXJHSCJDXOT-UHFFFAOYSA-N
XLogP4.09
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one?
The IUPAC name of 5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one (CID 70097840) is 5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one?
The canonical SMILES for 5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)cc(Cl)c2c(O)c1Sc1ccccn1.
What is the InChIKey of 5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one?
The InChIKey is BNRLXJHSCJDXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2S/c15-7-5-8(16)11-9(6-7)18-14(20)13(12(11)19)21-10-3-1-2-4-17-10/h1-6H,(H2,18,19,20).
What are the key properties of 5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one?
5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one has a molecular weight of 339.20 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-hydroxy-3-pyridin-2-ylsulfanyl-1H-quinolin-2-one is sourced from PubChem (CID 70097840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).