8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline

C20H23N5O3S — CID 126861766

IUPAC8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline
SMILESCc1ccc(OCCN2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)nn1
InChIInChI=1S/C20H23N5O3S/c1-16-7-8-19(23-22-16)28-15-14-24-10-12-25(13-11-24)29(26,27)18-6-2-4-17-5-3-9-21-20(17)18/h2-9H,10-15H2,1H3
InChIKeyUFTYLGXTVIHRBK-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.72
Rot. Bonds6

About 8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline

8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline (PubChem CID 126861766) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline
PubChem CID126861766
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline
SMILESCc1ccc(OCCN2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)nn1
InChIInChI=1S/C20H23N5O3S/c1-16-7-8-19(23-22-16)28-15-14-24-10-12-25(13-11-24)29(26,27)18-6-2-4-17-5-3-9-21-20(17)18/h2-9H,10-15H2,1H3
InChIKeyUFTYLGXTVIHRBK-UHFFFAOYSA-N
XLogP1.72
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline (CID 126861766) is 8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline is Cc1ccc(OCCN2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)nn1.
What is the InChIKey of 8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline?
The InChIKey is UFTYLGXTVIHRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-16-7-8-19(23-22-16)28-15-14-24-10-12-25(13-11-24)29(26,27)18-6-2-4-17-5-3-9-21-20(17)18/h2-9H,10-15H2,1H3.
What are the key properties of 8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline?
8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline has a molecular weight of 413.50 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 126861766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).