butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate

C21H30N4O6S — CID 175688776

IUPACbutyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate
SMILESCCCCOC(=O)NS(=O)(=O)NC1CCN(c2ccnc3cc(OC)c(OC)cc23)CC1
InChIInChI=1S/C21H30N4O6S/c1-4-5-12-31-21(26)24-32(27,28)23-15-7-10-25(11-8-15)18-6-9-22-17-14-20(30-3)19(29-2)13-16(17)18/h6,9,13-15,23H,4-5,7-8,10-12H2,1-3H3,(H,24,26)
InChIKeyXLSKEIHHXFFEHL-UHFFFAOYSA-N
MW466.56 g/mol
LogP2.58
Rot. Bonds9

About butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate

butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate (PubChem CID 175688776) has the molecular formula C21H30N4O6S and a molecular weight of 466.56 g/mol. Its IUPAC name is butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate.

Molecular Properties

Compound Namebutyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate
PubChem CID175688776
Molecular FormulaC21H30N4O6S
Molecular Weight466.56 g/mol
Exact Mass466.19
IUPAC Namebutyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate
SMILESCCCCOC(=O)NS(=O)(=O)NC1CCN(c2ccnc3cc(OC)c(OC)cc23)CC1
InChIInChI=1S/C21H30N4O6S/c1-4-5-12-31-21(26)24-32(27,28)23-15-7-10-25(11-8-15)18-6-9-22-17-14-20(30-3)19(29-2)13-16(17)18/h6,9,13-15,23H,4-5,7-8,10-12H2,1-3H3,(H,24,26)
InChIKeyXLSKEIHHXFFEHL-UHFFFAOYSA-N
XLogP2.58
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
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
tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate
CID 155618198
4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid
CID 175192737
2-[(2R)-4-(6,7-dimethoxyquinolin-4-yl)-2-methylpiperazin-1-yl]ethyl N-tert-butylcarbamate
CID 175196193
1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine
CID 175689164
7-formyl-6-methoxy-4-[4-[1-(sulfamoylamino)butan-2-yl]piperidin-1-yl]quinoline
CID 155137804
4-(6,7-dimethoxyquinolin-4-yl)-1,4-diazepane-1-carboxamide
CID 167970486
4-[4-[1-(2-cyclopropyl-2-sulfinatohydrazinyl)propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline
CID 155618180

Frequently Asked Questions

What is the IUPAC name of butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate?
The IUPAC name of butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate (CID 175688776) is butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate.
What is the SMILES notation for butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate?
The canonical SMILES for butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate is CCCCOC(=O)NS(=O)(=O)NC1CCN(c2ccnc3cc(OC)c(OC)cc23)CC1.
What is the InChIKey of butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate?
The InChIKey is XLSKEIHHXFFEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O6S/c1-4-5-12-31-21(26)24-32(27,28)23-15-7-10-25(11-8-15)18-6-9-22-17-14-20(30-3)19(29-2)13-16(17)18/h6,9,13-15,23H,4-5,7-8,10-12H2,1-3H3,(H,24,26).
What are the key properties of butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate?
butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate has a molecular weight of 466.56 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate is sourced from PubChem (CID 175688776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).