4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol

C142H180Cl3N31O6 — CID 160554796

IUPAC4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCC(C)c1cnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2c1.CN(c1ccc(-c2cc3cc(Cl)cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3nccc(Cl)c3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3ncccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cc1cc(Cl)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1.Cc1cnc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1
InChIInChI=1S/C26H35N5O.C24H30ClN5O.2C23H28ClN5O.C23H30N6O.C23H29N5O/c1-16(2)18-10-17-11-20(23(32)12-22(17)27-15-18)21-8-9-24(29-28-21)31(7)19-13-25(3,4)30-26(5,6)14-19;1-14-9-18(25)16-10-17(21(31)11-20(16)26-14)19-7-8-22(28-27-19)30(6)15-12-23(2,3)29-24(4,5)13-15;1-22(2)11-16(12-23(3,4)28-22)29(5)21-7-6-18(26-27-21)17-9-14-8-15(24)13-25-19(14)10-20(17)30;1-22(2)12-14(13-23(3,4)28-22)29(5)21-7-6-18(26-27-21)16-10-19-15(11-20(16)30)17(24)8-9-25-19;1-14-13-24-18-9-16(20(30)10-19(18)25-14)17-7-8-21(27-26-17)29(6)15-11-22(2,3)28-23(4,5)12-15;1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-12-19-15(11-20(17)29)7-6-10-24-19/h8-12,15-16,19,30,32H,13-14H2,1-7H3;7-11,15,29,31H,12-13H2,1-6H3;6-10,13,16,28,30H,11-12H2,1-5H3;6-11,14,28,30H,12-13H2,1-5H3;7-10,13,15,28,30H,11-12H2,1-6H3;6-12,16,27,29H,13-14H2,1-5H3
InChIKeyQYNPLPZWJIKCJS-UHFFFAOYSA-N
MW2523.57 g/mol
LogP27.95
Rot. Bonds19

About 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol

4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (PubChem CID 160554796) has the molecular formula C142H180Cl3N31O6 and a molecular weight of 2523.57 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
PubChem CID160554796
Molecular FormulaC142H180Cl3N31O6
Molecular Weight2523.57 g/mol
Exact Mass2520.38
IUPAC Name4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol
SMILESCC(C)c1cnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2c1.CN(c1ccc(-c2cc3cc(Cl)cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3nccc(Cl)c3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3ncccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cc1cc(Cl)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1.Cc1cnc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1
InChIInChI=1S/C26H35N5O.C24H30ClN5O.2C23H28ClN5O.C23H30N6O.C23H29N5O/c1-16(2)18-10-17-11-20(23(32)12-22(17)27-15-18)21-8-9-24(29-28-21)31(7)19-13-25(3,4)30-26(5,6)14-19;1-14-9-18(25)16-10-17(21(31)11-20(16)26-14)19-7-8-22(28-27-19)30(6)15-12-23(2,3)29-24(4,5)13-15;1-22(2)11-16(12-23(3,4)28-22)29(5)21-7-6-18(26-27-21)17-9-14-8-15(24)13-25-19(14)10-20(17)30;1-22(2)12-14(13-23(3,4)28-22)29(5)21-7-6-18(26-27-21)16-10-19-15(11-20(16)30)17(24)8-9-25-19;1-14-13-24-18-9-16(20(30)10-19(18)25-14)17-7-8-21(27-26-17)29(6)15-11-22(2,3)28-23(4,5)12-15;1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-12-19-15(11-20(17)29)7-6-10-24-19/h8-12,15-16,19,30,32H,13-14H2,1-7H3;7-11,15,29,31H,12-13H2,1-6H3;6-10,13,16,28,30H,11-12H2,1-5H3;6-11,14,28,30H,12-13H2,1-5H3;7-10,13,15,28,30H,11-12H2,1-6H3;6-12,16,27,29H,13-14H2,1-5H3
InChIKeyQYNPLPZWJIKCJS-UHFFFAOYSA-N
XLogP27.95
TPSA457.91 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds19
Heavy Atoms182
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002523.57
LogP ≤ 527.95
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The IUPAC name of 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol (CID 160554796) is 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol.
What is the SMILES notation for 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The canonical SMILES for 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is CC(C)c1cnc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2c1.CN(c1ccc(-c2cc3cc(Cl)cnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3nccc(Cl)c3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.CN(c1ccc(-c2cc3ncccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.Cc1cc(Cl)c2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1.Cc1cnc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc2n1.
What is the InChIKey of 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
The InChIKey is QYNPLPZWJIKCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O.C24H30ClN5O.2C23H28ClN5O.C23H30N6O.C23H29N5O/c1-16(2)18-10-17-11-20(23(32)12-22(17)27-15-18)21-8-9-24(29-28-21)31(7)19-13-25(3,4)30-26(5,6)14-19;1-14-9-18(25)16-10-17(21(31)11-20(16)26-14)19-7-8-22(28-27-19)30(6)15-12-23(2,3)29-24(4,5)13-15;1-22(2)11-16(12-23(3,4)28-22)29(5)21-7-6-18(26-27-21)17-9-14-8-15(24)13-25-19(14)10-20(17)30;1-22(2)12-14(13-23(3,4)28-22)29(5)21-7-6-18(26-27-21)16-10-19-15(11-20(16)30)17(24)8-9-25-19;1-14-13-24-18-9-16(20(30)10-19(18)25-14)17-7-8-21(27-26-17)29(6)15-11-22(2,3)28-23(4,5)12-15;1-22(2)13-16(14-23(3,4)27-22)28(5)21-9-8-18(25-26-21)17-12-19-15(11-20(17)29)7-6-10-24-19/h8-12,15-16,19,30,32H,13-14H2,1-7H3;7-11,15,29,31H,12-13H2,1-6H3;6-10,13,16,28,30H,11-12H2,1-5H3;6-11,14,28,30H,12-13H2,1-5H3;7-10,13,15,28,30H,11-12H2,1-6H3;6-12,16,27,29H,13-14H2,1-5H3.
What are the key properties of 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol?
4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol has a molecular weight of 2523.57 g/mol, XLogP of 27.95, 19 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;3-chloro-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-7-ol;4-chloro-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol;3-methyl-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoxalin-6-ol;6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-propan-2-ylquinolin-7-ol;7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinolin-6-ol is sourced from PubChem (CID 160554796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).