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

C16H24N2O3S — CID 46361610

IUPAC1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C16H24N2O3S/c1-4-5-10-17(3)22(20,21)15-8-9-16-14(12-15)7-6-11-18(16)13(2)19/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyHLUCSAMXCDTYNT-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.41
Rot. Bonds5

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

1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 46361610) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID46361610
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C16H24N2O3S/c1-4-5-10-17(3)22(20,21)15-8-9-16-14(12-15)7-6-11-18(16)13(2)19/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyHLUCSAMXCDTYNT-UHFFFAOYSA-N
XLogP2.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 39419247
1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435716
4-[5-[butyl(methyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864308
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 110604959
1-acetyl-N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 5299723
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
4-acetyl-N-butyl-N-methyl-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 46283550
1-acetyl-N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 17488819
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-butylacetamide
CID 112990706
1-acetyl-N-[1-(2-bromophenyl)ethyl]-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55913777
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 46361610) is 1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CCCCN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O.
What is the InChIKey of 1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is HLUCSAMXCDTYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-5-10-17(3)22(20,21)15-8-9-16-14(12-15)7-6-11-18(16)13(2)19/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of 1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 46361610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).