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

C24H31N5O2 — CID 136607565

IUPAC6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one
SMILESCN(c1ccc(-c2cc3c(cc2O)c(=O)ccn3C)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H31N5O2/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
InChIKeyFQYMBNRXODZMMG-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.45
Rot. Bonds3

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

6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one (PubChem CID 136607565) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 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.

Molecular Properties

Compound Name6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one
PubChem CID136607565
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one
SMILESCN(c1ccc(-c2cc3c(cc2O)c(=O)ccn3C)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C24H31N5O2/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
InChIKeyFQYMBNRXODZMMG-UHFFFAOYSA-N
XLogP3.45
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.45
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?
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 (CID 136607565) is 6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one.
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?
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 is CN(c1ccc(-c2cc3c(cc2O)c(=O)ccn3C)nn1)C1CC(C)(C)NC(C)(C)C1.
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?
The InChIKey is FQYMBNRXODZMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/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.
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?
6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one has a molecular weight of 421.55 g/mol, XLogP of 3.45, 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 is sourced from PubChem (CID 136607565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).