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

C13H18N2O4S — CID 43990241

IUPACN-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
SMILESCOCC(=O)N1CCCc2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C13H18N2O4S/c1-19-9-13(16)15-7-3-4-10-5-6-11(8-12(10)15)14-20(2,17)18/h5-6,8,14H,3-4,7,9H2,1-2H3
InChIKeyRMRLBNJVMWYOGN-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.98
Rot. Bonds4

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

N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide (PubChem CID 43990241) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
PubChem CID43990241
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide
SMILESCOCC(=O)N1CCCc2ccc(NS(C)(=O)=O)cc21
InChIInChI=1S/C13H18N2O4S/c1-19-9-13(16)15-7-3-4-10-5-6-11(8-12(10)15)14-20(2,17)18/h5-6,8,14H,3-4,7,9H2,1-2H3
InChIKeyRMRLBNJVMWYOGN-UHFFFAOYSA-N
XLogP0.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide (CID 43990241) is N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide is COCC(=O)N1CCCc2ccc(NS(C)(=O)=O)cc21.
What is the InChIKey of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
The InChIKey is RMRLBNJVMWYOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-9-13(16)15-7-3-4-10-5-6-11(8-12(10)15)14-20(2,17)18/h5-6,8,14H,3-4,7,9H2,1-2H3.
What are the key properties of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide?
N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 43990241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).