5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline

C21H23N3O2S — CID 46634669

IUPAC5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2cccnc12
InChIInChI=1S/C21H23N3O2S/c1-17-9-10-20(19-8-5-11-22-21(17)19)27(25,26)24-14-12-23(13-15-24)16-18-6-3-2-4-7-18/h2-11H,12-16H2,1H3
InChIKeyXEQHJGFRTDPQCE-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.05
Rot. Bonds4

About 5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline

5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline (PubChem CID 46634669) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline
PubChem CID46634669
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline
SMILESCc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2cccnc12
InChIInChI=1S/C21H23N3O2S/c1-17-9-10-20(19-8-5-11-22-21(17)19)27(25,26)24-14-12-23(13-15-24)16-18-6-3-2-4-7-18/h2-11H,12-16H2,1H3
InChIKeyXEQHJGFRTDPQCE-UHFFFAOYSA-N
XLogP3.05
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
CID 55558830
N,N-diethyl-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]acetamide
CID 55544877
1-(azepan-1-yl)-2-[4-(8-methylquinolin-5-yl)sulfonylpiperazin-1-yl]ethanone
CID 55560037
5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline
CID 104774152
[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963849
1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine
CID 119974886
3-ethyl-1-(8-methylquinolin-5-yl)sulfonylazetidin-3-ol
CID 104774002
5-(4-benzylpiperazin-1-yl)sulfonyl-4-chloro-2-methylaniline
CID 134081763
1-benzyl-4-(1-benzyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 29382416
8-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 23933018
3-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992673
5-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]-1H-pyrazol-4-amine
CID 167964581

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline (CID 46634669) is 5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline is Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2cccnc12.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline?
The InChIKey is XEQHJGFRTDPQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-17-9-10-20(19-8-5-11-22-21(17)19)27(25,26)24-14-12-23(13-15-24)16-18-6-3-2-4-7-18/h2-11H,12-16H2,1H3.
What are the key properties of 5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline?
5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline has a molecular weight of 381.50 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)sulfonyl-8-methylquinoline is sourced from PubChem (CID 46634669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).