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

C88H116Cl2N14O16S2 — CID 161300728

IUPACbenzyl 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
SMILESCOc1cc2nccc(Cl)c2cc1OC.COc1cc2nccc(N3CCC(CCN)CC3)c2cc1OC.COc1cc2nccc(N3CCC(CCNC(=O)OCc4ccccc4)CC3)c2cc1OC.COc1cc2nccc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC.NS(=O)(=O)Cl.O=C(NCCC1CCNCC1)OCc1ccccc1
InChIInChI=1S/C26H31N3O4.C18H26N4O4S.C18H25N3O2.C15H22N2O2.C11H10ClNO2.ClH2NO2S/c1-31-24-16-21-22(17-25(24)32-2)27-13-9-23(21)29-14-10-19(11-15-29)8-12-28-26(30)33-18-20-6-4-3-5-7-20;1-25-17-11-14-15(12-18(17)26-2)20-7-4-16(14)22-9-5-13(6-10-22)3-8-21-27(19,23)24;1-22-17-11-14-15(12-18(17)23-2)20-8-4-16(14)21-9-5-13(3-7-19)6-10-21;18-15(19-12-14-4-2-1-3-5-14)17-11-8-13-6-9-16-10-7-13;1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2;1-5(2,3)4/h3-7,9,13,16-17,19H,8,10-12,14-15,18H2,1-2H3,(H,28,30);4,7,11-13,21H,3,5-6,8-10H2,1-2H3,(H2,19,23,24);4,8,11-13H,3,5-7,9-10,19H2,1-2H3;1-5,13,16H,6-12H2,(H,17,18);3-6H,1-2H3;(H2,2,3,4)
InChIKeyVHOPOCDELYOWKP-UHFFFAOYSA-N
MW1761.02 g/mol
LogP13.89
Rot. Bonds27

About 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

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 (PubChem CID 161300728) has the molecular formula C88H116Cl2N14O16S2 and a molecular weight of 1761.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzyl 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
PubChem CID161300728
Molecular FormulaC88H116Cl2N14O16S2
Molecular Weight1761.02 g/mol
Exact Mass1758.75
IUPAC Namebenzyl 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
SMILESCOc1cc2nccc(Cl)c2cc1OC.COc1cc2nccc(N3CCC(CCN)CC3)c2cc1OC.COc1cc2nccc(N3CCC(CCNC(=O)OCc4ccccc4)CC3)c2cc1OC.COc1cc2nccc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC.NS(=O)(=O)Cl.O=C(NCCC1CCNCC1)OCc1ccccc1
InChIInChI=1S/C26H31N3O4.C18H26N4O4S.C18H25N3O2.C15H22N2O2.C11H10ClNO2.ClH2NO2S/c1-31-24-16-21-22(17-25(24)32-2)27-13-9-23(21)29-14-10-19(11-15-29)8-12-28-26(30)33-18-20-6-4-3-5-7-20;1-25-17-11-14-15(12-18(17)26-2)20-7-4-16(14)22-9-5-13(6-10-22)3-8-21-27(19,23)24;1-22-17-11-14-15(12-18(17)23-2)20-8-4-16(14)21-9-5-13(3-7-19)6-10-21;18-15(19-12-14-4-2-1-3-5-14)17-11-8-13-6-9-16-10-7-13;1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2;1-5(2,3)4/h3-7,9,13,16-17,19H,8,10-12,14-15,18H2,1-2H3,(H,28,30);4,7,11-13,21H,3,5-6,8-10H2,1-2H3,(H2,19,23,24);4,8,11-13H,3,5-7,9-10,19H2,1-2H3;1-5,13,16H,6-12H2,(H,17,18);3-6H,1-2H3;(H2,2,3,4)
InChIKeyVHOPOCDELYOWKP-UHFFFAOYSA-N
XLogP13.89
TPSA382.18 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001761.02
LogP ≤ 513.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide
CID 162190437
tert-butyl N-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]carbamate;4-chloro-6,7-dimethoxyquinazoline;4-propylpiperidine
CID 161109692
2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine
CID 163275209
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
[7-methoxy-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]quinazolin-6-yl] dihydrogen phosphate
CID 155125330
butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate
CID 175688776
benzyl N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]carbamate
CID 90986865
[1-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]cyclopropyl]methanamine
CID 155125344
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylsulfamoylcarbamic acid
CID 155125453
1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine
CID 155100110
2-[4-(6,7-dimethoxyquinolin-4-yl)piperazin-1-yl]propylsulfamoylcarbamic acid
CID 155125446

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2nccc(Cl)c2cc1OC.COc1cc2nccc(N3CCC(CCN)CC3)c2cc1OC.COc1cc2nccc(N3CCC(CCNC(=O)OCc4ccccc4)CC3)c2cc1OC.COc1cc2nccc(N3CCC(CCNS(N)(=O)=O)CC3)c2cc1OC.NS(=O)(=O)Cl.O=C(NCCC1CCNCC1)OCc1ccccc1.
What is the InChIKey of 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?
The InChIKey is VHOPOCDELYOWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4.C18H26N4O4S.C18H25N3O2.C15H22N2O2.C11H10ClNO2.ClH2NO2S/c1-31-24-16-21-22(17-25(24)32-2)27-13-9-23(21)29-14-10-19(11-15-29)8-12-28-26(30)33-18-20-6-4-3-5-7-20;1-25-17-11-14-15(12-18(17)26-2)20-7-4-16(14)22-9-5-13(6-10-22)3-8-21-27(19,23)24;1-22-17-11-14-15(12-18(17)23-2)20-8-4-16(14)21-9-5-13(3-7-19)6-10-21;18-15(19-12-14-4-2-1-3-5-14)17-11-8-13-6-9-16-10-7-13;1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2;1-5(2,3)4/h3-7,9,13,16-17,19H,8,10-12,14-15,18H2,1-2H3,(H,28,30);4,7,11-13,21H,3,5-6,8-10H2,1-2H3,(H2,19,23,24);4,8,11-13H,3,5-7,9-10,19H2,1-2H3;1-5,13,16H,6-12H2,(H,17,18);3-6H,1-2H3;(H2,2,3,4).
What are the key properties of 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?
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 has a molecular weight of 1761.02 g/mol, XLogP of 13.89, 27 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161300728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).