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6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

C22H28N6O3S — CID 122334820

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)ccc2N1
InChIInChI=1S/C22H28N6O3S/c29-22-9-4-17-16-18(5-6-19(17)23-22)32(30,31)28-14-12-27(13-15-28)21-8-7-20(24-25-21)26-10-2-1-3-11-26/h5-8,16H,1-4,9-15H2,(H,23,29)
InChIKeyIGSKOTHCRSJPHQ-UHFFFAOYSA-N
MW456.57 g/mol
LogP1.86
Rot. Bonds4

About 6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 122334820) has the molecular formula C22H28N6O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is 6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID122334820
Molecular FormulaC22H28N6O3S
Molecular Weight456.57 g/mol
Exact Mass456.19
IUPAC Name6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)ccc2N1
InChIInChI=1S/C22H28N6O3S/c29-22-9-4-17-16-18(5-6-19(17)23-22)32(30,31)28-14-12-27(13-15-28)21-8-7-20(24-25-21)26-10-2-1-3-11-26/h5-8,16H,1-4,9-15H2,(H,23,29)
InChIKeyIGSKOTHCRSJPHQ-UHFFFAOYSA-N
XLogP1.86
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 122334820) is 6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(S(=O)(=O)N3CCN(c4ccc(N5CCCCC5)nn4)CC3)ccc2N1.
What is the InChIKey of 6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IGSKOTHCRSJPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3S/c29-22-9-4-17-16-18(5-6-19(17)23-22)32(30,31)28-14-12-27(13-15-28)21-8-7-20(24-25-21)26-10-2-1-3-11-26/h5-8,16H,1-4,9-15H2,(H,23,29).
What are the key properties of 6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 456.57 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 122334820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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