6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one

C19H19Cl2NO3S — CID 22901614

IUPAC6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCCCS(=O)c3ccc(Cl)c(Cl)c3)ccc2N1
InChIInChI=1S/C19H19Cl2NO3S/c20-16-6-5-15(12-17(16)21)26(24)10-2-1-9-25-14-4-7-18-13(11-14)3-8-19(23)22-18/h4-7,11-12H,1-3,8-10H2,(H,22,23)
InChIKeyUSKSSUIWVBMHGS-UHFFFAOYSA-N
MW412.34 g/mol
LogP4.84
Rot. Bonds7

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

6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 22901614) has the molecular formula C19H19Cl2NO3S and a molecular weight of 412.34 g/mol. Its IUPAC name is 6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID22901614
Molecular FormulaC19H19Cl2NO3S
Molecular Weight412.34 g/mol
Exact Mass411.05
IUPAC Name6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCCCS(=O)c3ccc(Cl)c(Cl)c3)ccc2N1
InChIInChI=1S/C19H19Cl2NO3S/c20-16-6-5-15(12-17(16)21)26(24)10-2-1-9-25-14-4-7-18-13(11-14)3-8-19(23)22-18/h4-7,11-12H,1-3,8-10H2,(H,22,23)
InChIKeyUSKSSUIWVBMHGS-UHFFFAOYSA-N
XLogP4.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
6-[4-(2,4,5-trichlorophenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20539979
1,4-dichlorobenzene;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88753256
6-(4-pyridin-4-ylsulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20540127
pyridine;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88752389
6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 13054218
6-[4-(1H-1,2,4-triazol-5-ylsulfonyl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20539985
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
6-[3-[1-(2-aminophenyl)imidazol-2-yl]sulfinylpropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10669277
6-(5-oxo-5-piperazin-1-ylpentoxy)-3,4-dihydro-1H-quinolin-2-one
CID 70505703
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-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one (CID 22901614) is 6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCCCCS(=O)c3ccc(Cl)c(Cl)c3)ccc2N1.
What is the InChIKey of 6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is USKSSUIWVBMHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3S/c20-16-6-5-15(12-17(16)21)26(24)10-2-1-9-25-14-4-7-18-13(11-14)3-8-19(23)22-18/h4-7,11-12H,1-3,8-10H2,(H,22,23).
What are the key properties of 6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 412.34 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-dichlorophenyl)sulfinylbutoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 22901614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).