6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol

C24H31N5O — CID 136607494

IUPAC6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C24H31N5O/c1-23(2)14-17(15-24(3,4)29(23)6)28(5)22-10-9-19(26-27-22)18-12-16-8-7-11-25-20(16)13-21(18)30/h7-13,17,30H,14-15H2,1-6H3
InChIKeyOZCFUWGMZGTCSF-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.49
Rot. Bonds3

About 6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol

6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (PubChem CID 136607494) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.

Molecular Properties

Compound Name6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
PubChem CID136607494
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol
SMILESCN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C24H31N5O/c1-23(2)14-17(15-24(3,4)29(23)6)28(5)22-10-9-19(26-27-22)18-12-16-8-7-11-25-20(16)13-21(18)30/h7-13,17,30H,14-15H2,1-6H3
InChIKeyOZCFUWGMZGTCSF-UHFFFAOYSA-N
XLogP4.49
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The IUPAC name of 6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol (CID 136607494) is 6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol.
What is the SMILES notation for 6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The canonical SMILES for 6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is CN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
The InChIKey is OZCFUWGMZGTCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-23(2)14-17(15-24(3,4)29(23)6)28(5)22-10-9-19(26-27-22)18-12-16-8-7-11-25-20(16)13-21(18)30/h7-13,17,30H,14-15H2,1-6H3.
What are the key properties of 6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol?
6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol has a molecular weight of 405.55 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol is sourced from PubChem (CID 136607494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).