N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide

C20H24N2O4S — CID 21368049

IUPACN-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(OCC(=O)N2CCCc3ccccc32)cc1)S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-21(27(2,24)25)14-16-9-11-18(12-10-16)26-15-20(23)22-13-5-7-17-6-3-4-8-19(17)22/h3-4,6,8-12H,5,7,13-15H2,1-2H3
InChIKeyYNGDLJFQPDLQBJ-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.44
Rot. Bonds6

About N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide

N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide (PubChem CID 21368049) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide
PubChem CID21368049
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(OCC(=O)N2CCCc3ccccc32)cc1)S(C)(=O)=O
InChIInChI=1S/C20H24N2O4S/c1-21(27(2,24)25)14-16-9-11-18(12-10-16)26-15-20(23)22-13-5-7-17-6-3-4-8-19(17)22/h3-4,6,8-12H,5,7,13-15H2,1-2H3
InChIKeyYNGDLJFQPDLQBJ-UHFFFAOYSA-N
XLogP2.44
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(3-methylbutoxy)phenoxy]ethanone
CID 4732912
N-[[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide
CID 21367109
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 113149853
1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110749866
1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
CID 1242466
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide (CID 21368049) is N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide is CN(Cc1ccc(OCC(=O)N2CCCc3ccccc32)cc1)S(C)(=O)=O.
What is the InChIKey of N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide?
The InChIKey is YNGDLJFQPDLQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-21(27(2,24)25)14-16-9-11-18(12-10-16)26-15-20(23)22-13-5-7-17-6-3-4-8-19(17)22/h3-4,6,8-12H,5,7,13-15H2,1-2H3.
What are the key properties of N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide?
N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]phenyl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 21368049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).