4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one

C19H26N4O3S — CID 120560546

IUPAC4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(=O)CCC(C)N)CC3)cccc2c1
InChIInChI=1S/C19H26N4O3S/c1-14-12-16-4-3-5-17(19(16)21-13-14)27(25,26)23-10-8-22(9-11-23)18(24)7-6-15(2)20/h3-5,12-13,15H,6-11,20H2,1-2H3
InChIKeyYOURIKWOKOWSJP-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.50
Rot. Bonds5

About 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one

4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one (PubChem CID 120560546) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one
PubChem CID120560546
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one
SMILESCc1cnc2c(S(=O)(=O)N3CCN(C(=O)CCC(C)N)CC3)cccc2c1
InChIInChI=1S/C19H26N4O3S/c1-14-12-16-4-3-5-17(19(16)21-13-14)27(25,26)23-10-8-22(9-11-23)18(24)7-6-15(2)20/h3-5,12-13,15H,6-11,20H2,1-2H3
InChIKeyYOURIKWOKOWSJP-UHFFFAOYSA-N
XLogP1.50
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one?
The IUPAC name of 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one (CID 120560546) is 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one.
What is the SMILES notation for 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one?
The canonical SMILES for 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one is Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)CCC(C)N)CC3)cccc2c1.
What is the InChIKey of 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one?
The InChIKey is YOURIKWOKOWSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-14-12-16-4-3-5-17(19(16)21-13-14)27(25,26)23-10-8-22(9-11-23)18(24)7-6-15(2)20/h3-5,12-13,15H,6-11,20H2,1-2H3.
What are the key properties of 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one?
4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one has a molecular weight of 390.51 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]pentan-1-one is sourced from PubChem (CID 120560546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).