6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one

C18H19NO4S — CID 20540129

IUPAC6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCC(O)CS(=O)c3ccccc3)ccc2N1
InChIInChI=1S/C18H19NO4S/c20-14(12-24(22)16-4-2-1-3-5-16)11-23-15-7-8-17-13(10-15)6-9-18(21)19-17/h1-5,7-8,10,14,20H,6,9,11-12H2,(H,19,21)
InChIKeyXIWBESUSQIAVOP-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.12
Rot. Bonds6

About 6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one

6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 20540129) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID20540129
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCC(O)CS(=O)c3ccccc3)ccc2N1
InChIInChI=1S/C18H19NO4S/c20-14(12-24(22)16-4-2-1-3-5-16)11-23-15-7-8-17-13(10-15)6-9-18(21)19-17/h1-5,7-8,10,14,20H,6,9,11-12H2,(H,19,21)
InChIKeyXIWBESUSQIAVOP-UHFFFAOYSA-N
XLogP2.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(benzenesulfinyl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 13138341
6-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 67250952
6-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 109403412
6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 124570235
6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 167885744
7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939907
6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10835345
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 63912061
6-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 109403426
6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115969585
6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103074282

Frequently Asked Questions

What is the IUPAC name of 6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one (CID 20540129) is 6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCC(O)CS(=O)c3ccccc3)ccc2N1.
What is the InChIKey of 6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XIWBESUSQIAVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-14(12-24(22)16-4-2-1-3-5-16)11-23-15-7-8-17-13(10-15)6-9-18(21)19-17/h1-5,7-8,10,14,20H,6,9,11-12H2,(H,19,21).
What are the key properties of 6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 345.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 20540129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).