6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride

C24H32ClN5O2 — CID 137035297

IUPAC6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride
SMILESCN(c1ccc(-c2cc3c(cc2O)c(=O)ccn3C)nn1)C1CC(C)(C)NC(C)(C)C1.Cl
InChIInChI=1S/C24H31N5O2.ClH/c1-23(2)13-15(14-24(3,4)27-23)29(6)22-8-7-18(25-26-22)16-11-19-17(12-21(16)31)20(30)9-10-28(19)5;/h7-12,15,27,31H,13-14H2,1-6H3;1H
InChIKeyBGNBKAJYYURTND-UHFFFAOYSA-N
MW458.01 g/mol
LogP3.87
Rot. Bonds3

About 6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride

6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride (PubChem CID 137035297) has the molecular formula C24H32ClN5O2 and a molecular weight of 458.01 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride
PubChem CID137035297
Molecular FormulaC24H32ClN5O2
Molecular Weight458.01 g/mol
Exact Mass457.22
IUPAC Name6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride
SMILESCN(c1ccc(-c2cc3c(cc2O)c(=O)ccn3C)nn1)C1CC(C)(C)NC(C)(C)C1.Cl
InChIInChI=1S/C24H31N5O2.ClH/c1-23(2)13-15(14-24(3,4)27-23)29(6)22-8-7-18(25-26-22)16-11-19-17(12-21(16)31)20(30)9-10-28(19)5;/h7-12,15,27,31H,13-14H2,1-6H3;1H
InChIKeyBGNBKAJYYURTND-UHFFFAOYSA-N
XLogP3.87
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.01
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride?
The IUPAC name of 6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride (CID 137035297) is 6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride.
What is the SMILES notation for 6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride?
The canonical SMILES for 6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride is CN(c1ccc(-c2cc3c(cc2O)c(=O)ccn3C)nn1)C1CC(C)(C)NC(C)(C)C1.Cl.
What is the InChIKey of 6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride?
The InChIKey is BGNBKAJYYURTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2.ClH/c1-23(2)13-15(14-24(3,4)27-23)29(6)22-8-7-18(25-26-22)16-11-19-17(12-21(16)31)20(30)9-10-28(19)5;/h7-12,15,27,31H,13-14H2,1-6H3;1H.
What are the key properties of 6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride?
6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride has a molecular weight of 458.01 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one;hydrochloride is sourced from PubChem (CID 137035297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).