methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate

C21H24N2O6S — CID 55448230

IUPACmethyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1cccc(OCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c1
InChIInChI=1S/C21H24N2O6S/c1-22(2)30(26,27)18-9-10-19-15(13-18)7-5-11-23(19)20(24)14-29-17-8-4-6-16(12-17)21(25)28-3/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3
InChIKeyGHQMWJUTWGJQKJ-UHFFFAOYSA-N
MW432.50 g/mol
LogP2.08
Rot. Bonds6

About methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate

methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate (PubChem CID 55448230) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate
PubChem CID55448230
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC Namemethyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate
SMILESCOC(=O)c1cccc(OCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c1
InChIInChI=1S/C21H24N2O6S/c1-22(2)30(26,27)18-9-10-19-15(13-18)7-5-11-23(19)20(24)14-29-17-8-4-6-16(12-17)21(25)28-3/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3
InChIKeyGHQMWJUTWGJQKJ-UHFFFAOYSA-N
XLogP2.08
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate with MolForge

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Related Compounds

N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 37349562
methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate
CID 55871968
2-(3-methylphenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 26466084
1-[2-(4-acetylphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435508
methyl 1-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-5-nitro-6-oxopyridine-3-carboxylate
CID 55665085
3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile
CID 51286920
N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55448495
1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435322
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435199
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate?
The IUPAC name of methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate (CID 55448230) is methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate.
What is the SMILES notation for methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate?
The canonical SMILES for methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate is COC(=O)c1cccc(OCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c1.
What is the InChIKey of methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate?
The InChIKey is GHQMWJUTWGJQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-22(2)30(26,27)18-9-10-19-15(13-18)7-5-11-23(19)20(24)14-29-17-8-4-6-16(12-17)21(25)28-3/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3.
What are the key properties of methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate?
methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate has a molecular weight of 432.50 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 55448230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).