N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide

C20H28N4O4S — CID 155618197

IUPACN-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide
SMILESCOc1cc2nccc(N3CCN(C4(CNS(C)(=O)=O)CC4)CC3)c2cc1OC
InChIInChI=1S/C20H28N4O4S/c1-27-18-12-15-16(13-19(18)28-2)21-7-4-17(15)23-8-10-24(11-9-23)20(5-6-20)14-22-29(3,25)26/h4,7,12-13,22H,5-6,8-11,14H2,1-3H3
InChIKeyNHCDEYMDQFOKTD-UHFFFAOYSA-N
MW420.54 g/mol
LogP1.46
Rot. Bonds7

About N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide

N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide (PubChem CID 155618197) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide
PubChem CID155618197
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide
SMILESCOc1cc2nccc(N3CCN(C4(CNS(C)(=O)=O)CC4)CC3)c2cc1OC
InChIInChI=1S/C20H28N4O4S/c1-27-18-12-15-16(13-19(18)28-2)21-7-4-17(15)23-8-10-24(11-9-23)20(5-6-20)14-22-29(3,25)26/h4,7,12-13,22H,5-6,8-11,14H2,1-3H3
InChIKeyNHCDEYMDQFOKTD-UHFFFAOYSA-N
XLogP1.46
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide with MolForge

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Related Compounds

2-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]propylsulfamoylcarbamic acid
CID 155125446
6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline
CID 122152929
[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine
CID 155125344
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide
CID 162190437
4-(6,7-dimethoxyquinolin-4-yl)-1,4-diazepane-1-carboxamide
CID 167970486
S-[[1-[1-[6-(fluoromethoxy)-7-methoxyquinolin-4-yl]piperidin-4-yl]cyclopropyl]methylamino]thiohydroxylamine
CID 155697828
1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine
CID 175689164
8-(6-fluoro-7-methoxyquinolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 157040955
butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate
CID 175688776
2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine
CID 163275209
1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052611

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide (CID 155618197) is N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide is COc1cc2nccc(N3CCN(C4(CNS(C)(=O)=O)CC4)CC3)c2cc1OC.
What is the InChIKey of N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide?
The InChIKey is NHCDEYMDQFOKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-27-18-12-15-16(13-19(18)28-2)21-7-4-17(15)23-8-10-24(11-9-23)20(5-6-20)14-22-29(3,25)26/h4,7,12-13,22H,5-6,8-11,14H2,1-3H3.
What are the key properties of N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide?
N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide has a molecular weight of 420.54 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]cyclopropyl]methyl]methanesulfonamide is sourced from PubChem (CID 155618197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).