1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C19H22N2O3S — CID 3238596

IUPAC1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C19H22N2O3S/c1-15(22)21-12-6-9-17-13-18(10-11-19(17)21)25(23,24)20(2)14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3
InChIKeyCRPIKWZKAMUTDV-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.81
Rot. Bonds4

About 1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 3238596) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID3238596
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C19H22N2O3S/c1-15(22)21-12-6-9-17-13-18(10-11-19(17)21)25(23,24)20(2)14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3
InChIKeyCRPIKWZKAMUTDV-UHFFFAOYSA-N
XLogP2.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656150
N-(3-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 7066682
N-[4-(4-Acetylpiperazin-1-Yl)-2-Fluorobenzyl]-N-Cyclobutylbenzenesulfonamide
CID 86346644
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-cyclohexyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647908
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
4,8-dimethyl-6-(piperidin-1-ylsulfonyl)quinolin-2(1H)-one
CID 6324404
1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 3238596) is 1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21.
What is the InChIKey of 1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is CRPIKWZKAMUTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15(22)21-12-6-9-17-13-18(10-11-19(17)21)25(23,24)20(2)14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3.
What are the key properties of 1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-benzyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 3238596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).