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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Related Compounds

3-[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyliminomethyl]-4-hydroxy-1-methylquinolin-2-one
CID 135675639
2-[[2-[[5-(Benzylcarbamoyl)-2-pyridinyl]sulfanyl]acetyl]amino]-4,6-dichlorobenzoic acid
CID 19605995
4-Chloro-2-(3-pyridin-2-ylsulfanylpropanoylamino)benzoic acid
CID 24991472
N-[4-[(5,7-dichloro-4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfanyl]phenyl]pyridine-3-carboxamide
CID 54704971
5,7-dichloro-4-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]sulfanyl-1H-quinolin-2-one
CID 54704974
N-benzyl-6-[(5,7-dichloro-4-hydroxy-2-oxo-1H-quinolin-3-yl)sulfanyl]pyridine-3-carboxamide
CID 54728812
7-chloro-4-hydroxy-3-pyridin-3-yl-1H-quinolin-2-one
CID 54737108
7-chloro-4-hydroxy-6-iodo-3-pyridin-3-yl-1H-quinolin-2-one
CID 68352245
5,7-dichloro-4-hydroxy-3-[[5-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]sulfanyl]-1H-quinolin-2-one
CID 70097836
5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one
CID 70097837
5,7-dichloro-4-hydroxy-3-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]sulfanyl]-1H-quinolin-2-one
CID 70098909
5,7-dichloro-4-hydroxy-3-[[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]sulfanyl]-1H-quinolin-2-one
CID 70098910

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).