6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one

C22H21NO3S — CID 98235067

IUPAC6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCC[S@](=O)Cc3cccc4ccccc34)ccc2N1
InChIInChI=1S/C22H21NO3S/c24-22-11-8-17-14-19(9-10-21(17)23-22)26-12-13-27(25)15-18-6-3-5-16-4-1-2-7-20(16)18/h1-7,9-10,14H,8,11-13,15H2,(H,23,24)/t27-/m0/s1
InChIKeyVLZLLNDVCSCZMA-MHZLTWQESA-N
MW379.48 g/mol
LogP4.05
Rot. Bonds6

About 6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 98235067) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is 6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID98235067
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCC[S@](=O)Cc3cccc4ccccc34)ccc2N1
InChIInChI=1S/C22H21NO3S/c24-22-11-8-17-14-19(9-10-21(17)23-22)26-12-13-27(25)15-18-6-3-5-16-4-1-2-7-20(16)18/h1-7,9-10,14H,8,11-13,15H2,(H,23,24)/t27-/m0/s1
InChIKeyVLZLLNDVCSCZMA-MHZLTWQESA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[4-(benzenesulfinyl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 13138341
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88692964
6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 22901614
6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 13054218
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-[(3-phenoxyphenyl)methyl]butanamide
CID 55688683
N-naphthalen-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36507480
6-[4-[4-(quinolin-2-ylmethyl)piperidin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 16738316
N-[(3-bromophenyl)methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55596350
quinoline;6-(4-sulfinylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88753668
2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide
CID 78892122
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 98235067) is 6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCC[S@](=O)Cc3cccc4ccccc34)ccc2N1.
What is the InChIKey of 6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VLZLLNDVCSCZMA-MHZLTWQESA-N. The full InChI is InChI=1S/C22H21NO3S/c24-22-11-8-17-14-19(9-10-21(17)23-22)26-12-13-27(25)15-18-6-3-5-16-4-1-2-7-20(16)18/h1-7,9-10,14H,8,11-13,15H2,(H,23,24)/t27-/m0/s1.
What are the key properties of 6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 379.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(R)-naphthalen-1-ylmethylsulfinyl]ethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 98235067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).