3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one

C13H15NO3S — CID 54696618

IUPAC3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one
SMILESCCCCS(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H15NO3S/c1-2-3-8-18(17)12-11(15)9-6-4-5-7-10(9)14-13(12)16/h4-7H,2-3,8H2,1H3,(H2,14,15,16)
InChIKeyHGZHGSQXLKZQKZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.14
Rot. Bonds4

About 3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one

3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one (PubChem CID 54696618) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one
PubChem CID54696618
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one
SMILESCCCCS(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H15NO3S/c1-2-3-8-18(17)12-11(15)9-6-4-5-7-10(9)14-13(12)16/h4-7H,2-3,8H2,1H3,(H2,14,15,16)
InChIKeyHGZHGSQXLKZQKZ-UHFFFAOYSA-N
XLogP2.14
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dihydroxyquinoline
CID 54680871
4-Hydroxy-3-methylquinolin-2(1H)-one
CID 54678416
2,3,4-Quinolinetriol
CID 54677846
3-(cyclohexylsulfinyl)-4-hydroxy-1-methyl-2(1H)-quinolinone
CID 54694332
4-Hydroxy-3-isobutyramido-2(1H)-quinolinone
CID 54680872
3-Acetylamino-2-oxo-4-hydroxyquinoline
CID 54689167
4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-1,2-dihydro-2lambda~6~,1-benzothiazine-3-carboxamide
CID 54685821
7-chloro-3-heptylsulfanyl-4-hydroxy-1H-quinolin-2-one
CID 54696526
2-hydroxy-3-(2-hydroxyethylsulfanyl)-1H-quinolin-4-one
CID 54680864
2(1H)-Quinolinone, 3-fluoro-4-hydroxy-
CID 54686281
[(4-Hydroxy-2-oxo-1,2-dihydro-3-quinolinyl)sulfanyl]acetic acid
CID 54677164
4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-1,2-dihydro-2lambda~6~,1-benzothiazine-3-carboxamide
CID 54680358

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one (CID 54696618) is 3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one is CCCCS(=O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one?
The InChIKey is HGZHGSQXLKZQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-2-3-8-18(17)12-11(15)9-6-4-5-7-10(9)14-13(12)16/h4-7H,2-3,8H2,1H3,(H2,14,15,16).
What are the key properties of 3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one?
3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one has a molecular weight of 265.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfinyl-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54696618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).