4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide

C21H26N2O5S — CID 43990298

IUPAC4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide
SMILESCOCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)cc21
InChIInChI=1S/C21H26N2O5S/c1-14-10-18(11-15(2)21(14)28-4)29(25,26)22-17-8-7-16-6-5-9-23(19(16)12-17)20(24)13-27-3/h7-8,10-12,22H,5-6,9,13H2,1-4H3
InChIKeyKLRZVIQCRJBTBS-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.04
Rot. Bonds6

About 4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide

4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide (PubChem CID 43990298) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide
PubChem CID43990298
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide
SMILESCOCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)cc21
InChIInChI=1S/C21H26N2O5S/c1-14-10-18(11-15(2)21(14)28-4)29(25,26)22-17-8-7-16-6-5-9-23(19(16)12-17)20(24)13-27-3/h7-8,10-12,22H,5-6,9,13H2,1-4H3
InChIKeyKLRZVIQCRJBTBS-UHFFFAOYSA-N
XLogP3.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide with MolForge

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Related Compounds

4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990274
2-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 16835177
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955729
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955739
[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]thiourea
CID 169359260
N-[4-[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfamoyl]phenyl]butanamide
CID 43955789
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 27604773
4-ethoxy-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzenesulfonamide
CID 43990641
4-methoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604917
N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide
CID 43955801
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835196
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide
CID 154934520

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide (CID 43990298) is 4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide is COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)cc21.
What is the InChIKey of 4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide?
The InChIKey is KLRZVIQCRJBTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-14-10-18(11-15(2)21(14)28-4)29(25,26)22-17-8-7-16-6-5-9-23(19(16)12-17)20(24)13-27-3/h7-8,10-12,22H,5-6,9,13H2,1-4H3.
What are the key properties of 4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide?
4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43990298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).