1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine

C22H20N4O3S — CID 90560503

IUPAC1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C22H20N4O3S/c27-30(28,20-9-3-6-16-7-4-12-23-21(16)20)26-13-10-18(11-14-26)29-22-19-8-2-1-5-17(19)15-24-25-22/h1-9,12,15,18H,10-11,13-14H2
InChIKeyFPDHZYGKQQIRIM-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.41
Rot. Bonds4

About 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine

1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine (PubChem CID 90560503) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine.

Molecular Properties

Compound Name1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine
PubChem CID90560503
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C22H20N4O3S/c27-30(28,20-9-3-6-16-7-4-12-23-21(16)20)26-13-10-18(11-14-26)29-22-19-8-2-1-5-17(19)15-24-25-22/h1-9,12,15,18H,10-11,13-14H2
InChIKeyFPDHZYGKQQIRIM-UHFFFAOYSA-N
XLogP3.41
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]oxyphthalazine
CID 90560524
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-piperidin-1-ylsulfonylquinoline
CID 768759
8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline
CID 91627435
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
2-methyl-8-(4-pyrimidin-2-yloxypiperidin-1-yl)sulfonylquinoline
CID 90558898
8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline
CID 171701848
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
2-methyl-8-(4-pyridazin-3-yloxypiperidin-1-yl)sulfonylquinoline
CID 90559428
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230

Frequently Asked Questions

What is the IUPAC name of 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine?
The IUPAC name of 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine (CID 90560503) is 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine.
What is the SMILES notation for 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine?
The canonical SMILES for 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine is O=S(=O)(c1cccc2cccnc12)N1CCC(Oc2nncc3ccccc23)CC1.
What is the InChIKey of 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine?
The InChIKey is FPDHZYGKQQIRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c27-30(28,20-9-3-6-16-7-4-12-23-21(16)20)26-13-10-18(11-14-26)29-22-19-8-2-1-5-17(19)15-24-25-22/h1-9,12,15,18H,10-11,13-14H2.
What are the key properties of 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine?
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine has a molecular weight of 420.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)oxyphthalazine is sourced from PubChem (CID 90560503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).