8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline

C24H23N5O2S — CID 121060900

IUPAC8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline
SMILESCc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)nn1
InChIInChI=1S/C24H23N5O2S/c1-18-6-2-3-9-20(18)21-11-12-23(27-26-21)28-14-16-29(17-15-28)32(30,31)22-10-4-7-19-8-5-13-25-24(19)22/h2-13H,14-17H2,1H3
InChIKeyZVNXZMZNFHEULS-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.51
Rot. Bonds4

About 8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline

8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline (PubChem CID 121060900) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline
PubChem CID121060900
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline
SMILESCc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)nn1
InChIInChI=1S/C24H23N5O2S/c1-18-6-2-3-9-20(18)21-11-12-23(27-26-21)28-14-16-29(17-15-28)32(30,31)22-10-4-7-19-8-5-13-25-24(19)22/h2-13H,14-17H2,1H3
InChIKeyZVNXZMZNFHEULS-UHFFFAOYSA-N
XLogP3.51
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline
CID 122279795
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-piperidin-1-ylsulfonylquinoline
CID 768759
3-(2-methylphenyl)-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyridazine
CID 94858075
8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline
CID 122345055
1-pyridin-2-yl-4-quinolin-8-ylsulfonylpiperazin-2-one
CID 134161610
N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 122332735
8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline
CID 18338372
8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline
CID 3758703
(4-pyridin-2-ylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
CID 3239277
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
8-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylquinoline
CID 19684943

Frequently Asked Questions

What is the IUPAC name of 8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline (CID 121060900) is 8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline is Cc1ccccc1-c1ccc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)nn1.
What is the InChIKey of 8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline?
The InChIKey is ZVNXZMZNFHEULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-18-6-2-3-9-20(18)21-11-12-23(27-26-21)28-14-16-29(17-15-28)32(30,31)22-10-4-7-19-8-5-13-25-24(19)22/h2-13H,14-17H2,1H3.
What are the key properties of 8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline?
8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline has a molecular weight of 445.55 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 121060900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).