anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one

C20H25NO3S — CID 88692964

IUPACanisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccccc1.O=C1CCc2cc(OCCCCS)ccc2N1
InChIInChI=1S/C13H17NO2S.C7H8O/c15-13-6-3-10-9-11(4-5-12(10)14-13)16-7-1-2-8-17;1-8-7-5-3-2-4-6-7/h4-5,9,17H,1-3,6-8H2,(H,14,15);2-6H,1H3
InChIKeyHZDSFWCYRPHAOW-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.36
Rot. Bonds6

About anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one

anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 88692964) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Nameanisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID88692964
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Nameanisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccccc1.O=C1CCc2cc(OCCCCS)ccc2N1
InChIInChI=1S/C13H17NO2S.C7H8O/c15-13-6-3-10-9-11(4-5-12(10)14-13)16-7-1-2-8-17;1-8-7-5-3-2-4-6-7/h4-5,9,17H,1-3,6-8H2,(H,14,15);2-6H,1H3
InChIKeyHZDSFWCYRPHAOW-UHFFFAOYSA-N
XLogP4.36
TPSA47.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

pyridine;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88752389
1,4-dichlorobenzene;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88753256
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20540046
6-[4-(benzenesulfinyl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 13138341
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
N-methyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(2-phenoxyethyl)butanamide
CID 31905955
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
6-(3-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 163249682
6-(4-pyridin-2-ylsulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20539996
N-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylbutanamide
CID 15572886
6-(4-phenoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 68591635

Frequently Asked Questions

What is the IUPAC name of anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one (CID 88692964) is anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one is COc1ccccc1.O=C1CCc2cc(OCCCCS)ccc2N1.
What is the InChIKey of anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HZDSFWCYRPHAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S.C7H8O/c15-13-6-3-10-9-11(4-5-12(10)14-13)16-7-1-2-8-17;1-8-7-5-3-2-4-6-7/h4-5,9,17H,1-3,6-8H2,(H,14,15);2-6H,1H3.
What are the key properties of anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one?
anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 359.49 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 88692964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).