N-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide

C18H22N2O2S — CID 175129853

IUPACN-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)CN1CCCc2ccccc21
InChIInChI=1S/C18H22N2O2S/c1-19(14-16-8-3-2-4-9-16)23(21,22)15-20-13-7-11-17-10-5-6-12-18(17)20/h2-6,8-10,12H,7,11,13-15H2,1H3
InChIKeyGINVQJCREVNRMK-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.86
Rot. Bonds5

About N-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide

N-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide (PubChem CID 175129853) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide
PubChem CID175129853
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)CN1CCCc2ccccc21
InChIInChI=1S/C18H22N2O2S/c1-19(14-16-8-3-2-4-9-16)23(21,22)15-20-13-7-11-17-10-5-6-12-18(17)20/h2-6,8-10,12H,7,11,13-15H2,1H3
InChIKeyGINVQJCREVNRMK-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2,3-dihydroindole-1-sulfonamide
CID 110865657
N-benzyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylpropanamide
CID 110342828
N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990709
N-benzyl-N-(2,3-dihydroindol-1-yl)methanesulfonamide
CID 91216007
N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide
CID 21368049
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
CID 109006191
6-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylhexan-1-amine
CID 13472124
8-(3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethyloctan-1-amine
CID 13472133
N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide
CID 33039061
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 8004672
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide?
The IUPAC name of N-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide (CID 175129853) is N-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide?
The canonical SMILES for N-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide is CN(Cc1ccccc1)S(=O)(=O)CN1CCCc2ccccc21.
What is the InChIKey of N-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide?
The InChIKey is GINVQJCREVNRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-19(14-16-8-3-2-4-9-16)23(21,22)15-20-13-7-11-17-10-5-6-12-18(17)20/h2-6,8-10,12H,7,11,13-15H2,1H3.
What are the key properties of N-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide?
N-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3,4-dihydro-2H-quinolin-1-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 175129853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).