8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline

C20H21N5O2S — CID 122279795

IUPAC8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C20H21N5O2S/c26-28(27,18-5-1-3-16-4-2-10-21-20(16)18)25-13-11-24(12-14-25)19-9-8-17(22-23-19)15-6-7-15/h1-5,8-10,15H,6-7,11-14H2
InChIKeyXCVQZOJJAFZUJH-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.41
Rot. Bonds4

About 8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline

8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline (PubChem CID 122279795) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline
PubChem CID122279795
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C20H21N5O2S/c26-28(27,18-5-1-3-16-4-2-10-21-20(16)18)25-13-11-24(12-14-25)19-9-8-17(22-23-19)15-6-7-15/h1-5,8-10,15H,6-7,11-14H2
InChIKeyXCVQZOJJAFZUJH-UHFFFAOYSA-N
XLogP2.41
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-6-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279772
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonylquinoline
CID 121060900
(4-pyridin-2-ylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
CID 3239277
8-piperidin-1-ylsulfonylquinoline
CID 768759
3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
CID 122279803
3-cyclopropyl-6-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 119105960
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
CID 131703897
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
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-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline (CID 122279795) is 8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline is O=S(=O)(c1cccc2cccnc12)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of 8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline?
The InChIKey is XCVQZOJJAFZUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c26-28(27,18-5-1-3-16-4-2-10-21-20(16)18)25-13-11-24(12-14-25)19-9-8-17(22-23-19)15-6-7-15/h1-5,8-10,15H,6-7,11-14H2.
What are the key properties of 8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline?
8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline has a molecular weight of 395.49 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 122279795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).