ethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate

C16H20N4O4S — CID 69455568

IUPACethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)Nc2ccc3ccccc3n2)CC1
InChIInChI=1S/C16H20N4O4S/c1-2-24-16(21)19-9-11-20(12-10-19)25(22,23)18-15-8-7-13-5-3-4-6-14(13)17-15/h3-8H,2,9-12H2,1H3,(H,17,18)
InChIKeyMEQHZVXXUYXNJA-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.67
Rot. Bonds4

About ethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate

ethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate (PubChem CID 69455568) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is ethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate
PubChem CID69455568
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Nameethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(S(=O)(=O)Nc2ccc3ccccc3n2)CC1
InChIInChI=1S/C16H20N4O4S/c1-2-24-16(21)19-9-11-20(12-10-19)25(22,23)18-15-8-7-13-5-3-4-6-14(13)17-15/h3-8H,2,9-12H2,1H3,(H,17,18)
InChIKeyMEQHZVXXUYXNJA-UHFFFAOYSA-N
XLogP1.67
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate (CID 69455568) is ethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(S(=O)(=O)Nc2ccc3ccccc3n2)CC1.
What is the InChIKey of ethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate?
The InChIKey is MEQHZVXXUYXNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-2-24-16(21)19-9-11-20(12-10-19)25(22,23)18-15-8-7-13-5-3-4-6-14(13)17-15/h3-8H,2,9-12H2,1H3,(H,17,18).
What are the key properties of ethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate?
ethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate has a molecular weight of 364.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(quinolin-2-ylsulfamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 69455568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).