tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate

C23H34N4O5S — CID 175192711

IUPACtert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate
SMILESCOc1ccc2c(N3CCC(C(C)CN(C(=O)OC(C)(C)C)S(N)(=O)=O)CC3)ccnc2c1
InChIInChI=1S/C23H34N4O5S/c1-16(15-27(33(24,29)30)22(28)32-23(2,3)4)17-9-12-26(13-10-17)21-8-11-25-20-14-18(31-5)6-7-19(20)21/h6-8,11,14,16-17H,9-10,12-13,15H2,1-5H3,(H2,24,29,30)
InChIKeyUDWHNTVHCOXPLA-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.54
Rot. Bonds6

About tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate

tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate (PubChem CID 175192711) has the molecular formula C23H34N4O5S and a molecular weight of 478.62 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate
PubChem CID175192711
Molecular FormulaC23H34N4O5S
Molecular Weight478.62 g/mol
Exact Mass478.22
IUPAC Nametert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate
SMILESCOc1ccc2c(N3CCC(C(C)CN(C(=O)OC(C)(C)C)S(N)(=O)=O)CC3)ccnc2c1
InChIInChI=1S/C23H34N4O5S/c1-16(15-27(33(24,29)30)22(28)32-23(2,3)4)17-9-12-26(13-10-17)21-8-11-25-20-14-18(31-5)6-7-19(20)21/h6-8,11,14,16-17H,9-10,12-13,15H2,1-5H3,(H2,24,29,30)
InChIKeyUDWHNTVHCOXPLA-UHFFFAOYSA-N
XLogP3.54
TPSA115.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate with MolForge

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Related Compounds

4-[4-[1-[cyclopropyl(sulfamoyl)amino]propan-2-yl]piperidin-1-yl]-6,7-dimethoxyquinoline;formic acid
CID 175192737
2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile
CID 155125423
2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]ethanol
CID 177345975
tert-butyl N-tert-butyl-N-[2-[1-[7-methoxy-6-(2-methoxyethoxy)quinolin-4-yl]piperidin-4-yl]propylsulfamoyl]carbamate
CID 155618198
7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline
CID 163274805
S-[cyclopropyl-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]amino]thiohydroxylamine
CID 155697816
tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
CID 172826509
7-methoxy-4-[4-[sulfamoyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidin-1-yl]cinnoline
CID 163275087
4-(4-propan-2-ylpiperidin-1-yl)quinolin-7-amine
CID 103505187
1-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]propyl]cyclopropan-1-amine
CID 175689164
(1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone
CID 166110422
7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline
CID 166187818

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate?
The IUPAC name of tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate (CID 175192711) is tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate?
The canonical SMILES for tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate is COc1ccc2c(N3CCC(C(C)CN(C(=O)OC(C)(C)C)S(N)(=O)=O)CC3)ccnc2c1.
What is the InChIKey of tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate?
The InChIKey is UDWHNTVHCOXPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O5S/c1-16(15-27(33(24,29)30)22(28)32-23(2,3)4)17-9-12-26(13-10-17)21-8-11-25-20-14-18(31-5)6-7-19(20)21/h6-8,11,14,16-17H,9-10,12-13,15H2,1-5H3,(H2,24,29,30).
What are the key properties of tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate?
tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate has a molecular weight of 478.62 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate is sourced from PubChem (CID 175192711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).