5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one

C15H10Cl2N2O2S — CID 70097837

IUPAC5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one
SMILESCc1ccc(Sc2c(O)c3c(Cl)cc(Cl)cc3[nH]c2=O)nc1
InChIInChI=1S/C15H10Cl2N2O2S/c1-7-2-3-11(18-6-7)22-14-13(20)12-9(17)4-8(16)5-10(12)19-15(14)21/h2-6H,1H3,(H2,19,20,21)
InChIKeyLDRQLSTZBNSMRX-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.40
Rot. Bonds2

About 5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one

5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one (PubChem CID 70097837) has the molecular formula C15H10Cl2N2O2S and a molecular weight of 353.23 g/mol. Its IUPAC name is 5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one
PubChem CID70097837
Molecular FormulaC15H10Cl2N2O2S
Molecular Weight353.23 g/mol
Exact Mass351.98
IUPAC Name5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one
SMILESCc1ccc(Sc2c(O)c3c(Cl)cc(Cl)cc3[nH]c2=O)nc1
InChIInChI=1S/C15H10Cl2N2O2S/c1-7-2-3-11(18-6-7)22-14-13(20)12-9(17)4-8(16)5-10(12)19-15(14)21/h2-6H,1H3,(H2,19,20,21)
InChIKeyLDRQLSTZBNSMRX-UHFFFAOYSA-N
XLogP4.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.40
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-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one?
The IUPAC name of 5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one (CID 70097837) is 5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one?
The canonical SMILES for 5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one is Cc1ccc(Sc2c(O)c3c(Cl)cc(Cl)cc3[nH]c2=O)nc1.
What is the InChIKey of 5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one?
The InChIKey is LDRQLSTZBNSMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S/c1-7-2-3-11(18-6-7)22-14-13(20)12-9(17)4-8(16)5-10(12)19-15(14)21/h2-6H,1H3,(H2,19,20,21).
What are the key properties of 5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one?
5,7-dichloro-4-hydroxy-3-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one has a molecular weight of 353.23 g/mol, XLogP of 4.40, 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-[(5-methyl-2-pyridinyl)sulfanyl]-1H-quinolin-2-one is sourced from PubChem (CID 70097837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).