N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C19H22N2O4S — CID 17442791

IUPACN,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-20(2)26(23,24)17-10-11-18-15(13-17)7-6-12-21(18)19(22)14-25-16-8-4-3-5-9-16/h3-5,8-11,13H,6-7,12,14H2,1-2H3
InChIKeyMIGGBMFNRAZABZ-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.30
Rot. Bonds5

About N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 17442791) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID17442791
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1ccccc1
InChIInChI=1S/C19H22N2O4S/c1-20(2)26(23,24)17-10-11-18-15(13-17)7-6-12-21(18)19(22)14-25-16-8-4-3-5-9-16/h3-5,8-11,13H,6-7,12,14H2,1-2H3
InChIKeyMIGGBMFNRAZABZ-UHFFFAOYSA-N
XLogP2.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate
CID 55448230
N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 37349562
1-[2-(4-acetylphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435508
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
1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435199
2-(3-methylphenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 26466084
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 26765658
3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile
CID 51286920
N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 18097880
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 17442791) is N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1ccccc1.
What is the InChIKey of N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is MIGGBMFNRAZABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-20(2)26(23,24)17-10-11-18-15(13-17)7-6-12-21(18)19(22)14-25-16-8-4-3-5-9-16/h3-5,8-11,13H,6-7,12,14H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 17442791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).