4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one

C11H11NO3S — CID 54680864

IUPAC4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1SCCO
InChIInChI=1S/C11H11NO3S/c13-5-6-16-10-9(14)7-3-1-2-4-8(7)12-11(10)15/h1-4,13H,5-6H2,(H2,12,14,15)
InChIKeyYKAYEPQKBSVVBC-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.32
Rot. Bonds3

About 4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one

4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one (PubChem CID 54680864) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one
PubChem CID54680864
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1SCCO
InChIInChI=1S/C11H11NO3S/c13-5-6-16-10-9(14)7-3-1-2-4-8(7)12-11(10)15/h1-4,13H,5-6H2,(H2,12,14,15)
InChIKeyYKAYEPQKBSVVBC-UHFFFAOYSA-N
XLogP1.32
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one (CID 54680864) is 4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(O)c1SCCO.
What is the InChIKey of 4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one?
The InChIKey is YKAYEPQKBSVVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c13-5-6-16-10-9(14)7-3-1-2-4-8(7)12-11(10)15/h1-4,13H,5-6H2,(H2,12,14,15).
What are the key properties of 4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one?
4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one has a molecular weight of 237.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-2-one is sourced from PubChem (CID 54680864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).