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

C21H26N6O4S — CID 122335395

IUPAC6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)ccc2N1
InChIInChI=1S/C21H26N6O4S/c28-21-6-1-16-15-17(2-3-18(16)22-21)32(29,30)27-9-7-25(8-10-27)19-4-5-20(24-23-19)26-11-13-31-14-12-26/h2-5,15H,1,6-14H2,(H,22,28)
InChIKeyNOEZEYGTFDCGIJ-UHFFFAOYSA-N
MW458.54 g/mol
LogP0.71
Rot. Bonds4

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

6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 122335395) has the molecular formula C21H26N6O4S and a molecular weight of 458.54 g/mol. Its IUPAC name is 6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID122335395
Molecular FormulaC21H26N6O4S
Molecular Weight458.54 g/mol
Exact Mass458.17
IUPAC Name6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)ccc2N1
InChIInChI=1S/C21H26N6O4S/c28-21-6-1-16-15-17(2-3-18(16)22-21)32(29,30)27-9-7-25(8-10-27)19-4-5-20(24-23-19)26-11-13-31-14-12-26/h2-5,15H,1,6-14H2,(H,22,28)
InChIKeyNOEZEYGTFDCGIJ-UHFFFAOYSA-N
XLogP0.71
TPSA107.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122334820
6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122339407
6-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122342567
6-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122342159
6-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 26539800
6-(4-ethylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 8512292
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate
CID 18266738
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
4-[6-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 50806875
6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 16677670
6-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7359204
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 110817203

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 122335395) is 6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(S(=O)(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)ccc2N1.
What is the InChIKey of 6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NOEZEYGTFDCGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4S/c28-21-6-1-16-15-17(2-3-18(16)22-21)32(29,30)27-9-7-25(8-10-27)19-4-5-20(24-23-19)26-11-13-31-14-12-26/h2-5,15H,1,6-14H2,(H,22,28).
What are the key properties of 6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 458.54 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 122335395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).