N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide

C21H29N3O5S — CID 162190437

IUPACN-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide
SMILESCOc1cc2nccc(N3CCC(CCNS(=O)(=O)CC(C)=O)CC3)c2cc1OC
InChIInChI=1S/C21H29N3O5S/c1-15(25)14-30(26,27)23-9-4-16-6-10-24(11-7-16)19-5-8-22-18-13-21(29-3)20(28-2)12-17(18)19/h5,8,12-13,16,23H,4,6-7,9-11,14H2,1-3H3
InChIKeyZQFOZLOUFLUVDQ-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.37
Rot. Bonds9

About N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide

N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide (PubChem CID 162190437) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide
PubChem CID162190437
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC NameN-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide
SMILESCOc1cc2nccc(N3CCC(CCNS(=O)(=O)CC(C)=O)CC3)c2cc1OC
InChIInChI=1S/C21H29N3O5S/c1-15(25)14-30(26,27)23-9-4-16-6-10-24(11-7-16)19-5-8-22-18-13-21(29-3)20(28-2)12-17(18)19/h5,8,12-13,16,23H,4,6-7,9-11,14H2,1-3H3
InChIKeyZQFOZLOUFLUVDQ-UHFFFAOYSA-N
XLogP2.37
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline
CID 122152929
butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate
CID 175688776
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
CID 155125453
benzyl N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]carbamate;benzyl N-(2-piperidin-4-ylethyl)carbamate;4-chloro-6,7-dimethoxyquinoline;2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethanamine;6,7-dimethoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinoline;sulfamoyl chloride
CID 161300728
2-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]propylsulfamoylcarbamic acid
CID 155125446
N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide
CID 155618197
tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate
CID 155618198
[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine
CID 155125344
2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine
CID 163275209
[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]ethanol
CID 177345975

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide?
The IUPAC name of N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide (CID 162190437) is N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide.
What is the SMILES notation for N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide?
The canonical SMILES for N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide is COc1cc2nccc(N3CCC(CCNS(=O)(=O)CC(C)=O)CC3)c2cc1OC.
What is the InChIKey of N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide?
The InChIKey is ZQFOZLOUFLUVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-15(25)14-30(26,27)23-9-4-16-6-10-24(11-7-16)19-5-8-22-18-13-21(29-3)20(28-2)12-17(18)19/h5,8,12-13,16,23H,4,6-7,9-11,14H2,1-3H3.
What are the key properties of N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide?
N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide has a molecular weight of 435.55 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide is sourced from PubChem (CID 162190437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).