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

C49H64N10O3 — CID 162110699

IUPAC2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-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.Cc1cc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2nc1C
InChIInChI=1S/C25H33N5O.C24H31N5O2/c1-15-10-17-11-22(31)19(12-21(17)26-16(15)2)20-8-9-23(28-27-20)30(7)18-13-24(3,4)29-25(5,6)14-18;1-23(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/h8-12,18,29,31H,13-14H2,1-7H3;7-12,15,27,31H,13-14H2,1-6H3
InChIKeyZGCNZBJAYAWRRY-UHFFFAOYSA-N
MW841.12 g/mol
LogP8.21
Rot. Bonds6

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

2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one (PubChem CID 162110699) has the molecular formula C49H64N10O3 and a molecular weight of 841.12 g/mol. Its IUPAC name is 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one
PubChem CID162110699
Molecular FormulaC49H64N10O3
Molecular Weight841.12 g/mol
Exact Mass840.52
IUPAC Name2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-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.Cc1cc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2nc1C
InChIInChI=1S/C25H33N5O.C24H31N5O2/c1-15-10-17-11-22(31)19(12-21(17)26-16(15)2)20-8-9-23(28-27-20)30(7)18-13-24(3,4)29-25(5,6)14-18;1-23(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/h8-12,18,29,31H,13-14H2,1-7H3;7-12,15,27,31H,13-14H2,1-6H3
InChIKeyZGCNZBJAYAWRRY-UHFFFAOYSA-N
XLogP8.21
TPSA157.45 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500841.12
LogP ≤ 58.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one with MolForge

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Related Compounds

Methyl 6-hydroxy-7-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)quinoline-2-carboxylate
CID 136607472
2-Methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
CID 136607561
6-Hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one
CID 136607565
6-Hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide
CID 136607618
6-(6-methoxyquinolin-7-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
CID 136954651
6-hydroxy-1-methyl-7-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)quinolin-4(1H)-one hydrochloride salt
CID 137035297
6-Hydroxy-3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid
CID 137046691
2,3-Dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
CID 137197135
6-Hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylic acid
CID 141443165
2-Isocyano-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
CID 145758635
8-Hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide
CID 156332639
6-Hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide;7-hydroxy-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxamide
CID 157064089

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;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 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one (CID 162110699) is 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;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 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;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 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;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.Cc1cc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one?
The InChIKey is ZGCNZBJAYAWRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O.C24H31N5O2/c1-15-10-17-11-22(31)19(12-21(17)26-16(15)2)20-8-9-23(28-27-20)30(7)18-13-24(3,4)29-25(5,6)14-18;1-23(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/h8-12,18,29,31H,13-14H2,1-7H3;7-12,15,27,31H,13-14H2,1-6H3.
What are the key properties of 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;6-hydroxy-1-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-4-one?
2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;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 841.12 g/mol, XLogP of 8.21, 6 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;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 162110699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).