2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol

C120H127N31O8 — CID 157434385

About 2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol

2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol (PubChem CID 157434385) has the molecular formula C120H127N31O8 and a molecular weight of 2131.54 g/mol. Its IUPAC name is 2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol.

Molecular Properties

• Compound Name: 2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol
• PubChem CID: 157434385
• Molecular Formula: C120H127N31O8
• Molecular Weight: 2131.54 g/mol
• Exact Mass: 2130.05
• IUPAC Name: 2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol
• SMILES: COC(=O)c1ccc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2n1.Cc1nccc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc12.Oc1cc2cccnc2cc1-c1ccc(C2=CCNCC2)nn1.Oc1cc2ccncc2cc1-c1ccc(N2CCNCC2)nn1.[C-]#[N+]c1ccc2cc(-c3ccc(N4CCNCC4)nn3)c(O)cc2n1.[C-]#[N+]c1ccc2cc(O)c(-c3ccc(N4CCNCC4)nn3)cc2n1
• InChI: InChI=1S/C25H31N5O3.C24H31N5O.2C18H16N6O.C18H16N4O.C17H17N5O/c1-24(2)13-16(14-25(3,4)29-24)30(5)22-10-9-18(27-28-22)17-12-20-15(11-21(17)31)7-8-19(26-20)23(32)33-6;1-15-18-12-21(30)19(11-16(18)9-10-25-15)20-7-8-22(27-26-20)29(6)17-13-23(2,3)28-24(4,5)14-17;1-19-17-4-2-12-10-16(25)13(11-15(12)21-17)14-3-5-18(23-22-14)24-8-6-20-7-9-24;1-19-17-4-2-12-10-13(16(25)11-15(12)21-17)14-3-5-18(23-22-14)24-8-6-20-7-9-24;23-18-10-13-2-1-7-20-17(13)11-14(18)16-4-3-15(21-22-16)12-5-8-19-9-6-12;23-16-10-12-3-4-19-11-13(12)9-14(16)15-1-2-17(21-20-15)22-7-5-18-6-8-22/h7-12,16,29,31H,13-14H2,1-6H3;7-12,17,28,30H,13-14H2,1-6H3;2*2-5,10-11,20,25H,6-9H2;1-5,7,10-11,19,23H,6,8-9H2;1-4,9-11,18,23H,5-8H2
• InChIKey: BQXQBMPDSKUILN-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 476.80 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 15
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2131.54
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol?

The IUPAC name of 2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol (CID 157434385) is 2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol.

What is the SMILES notation for 2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol?

The canonical SMILES for 2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol is COC(=O)c1ccc2cc(O)c(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)cc2n1.Cc1nccc2cc(-c3ccc(N(C)C4CC(C)(C)NC(C)(C)C4)nn3)c(O)cc12.Oc1cc2cccnc2cc1-c1ccc(C2=CCNCC2)nn1.Oc1cc2ccncc2cc1-c1ccc(N2CCNCC2)nn1.[C-]#[N+]c1ccc2cc(-c3ccc(N4CCNCC4)nn3)c(O)cc2n1.[C-]#[N+]c1ccc2cc(O)c(-c3ccc(N4CCNCC4)nn3)cc2n1.

What is the InChIKey of 2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol?

The InChIKey is BQXQBMPDSKUILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3.C24H31N5O.2C18H16N6O.C18H16N4O.C17H17N5O/c1-24(2)13-16(14-25(3,4)29-24)30(5)22-10-9-18(27-28-22)17-12-20-15(11-21(17)31)7-8-19(26-20)23(32)33-6;1-15-18-12-21(30)19(11-16(18)9-10-25-15)20-7-8-22(27-26-20)29(6)17-13-23(2,3)28-24(4,5)14-17;1-19-17-4-2-12-10-16(25)13(11-15(12)21-17)14-3-5-18(23-22-14)24-8-6-20-7-9-24;1-19-17-4-2-12-10-13(16(25)11-15(12)21-17)14-3-5-18(23-22-14)24-8-6-20-7-9-24;23-18-10-13-2-1-7-20-17(13)11-14(18)16-4-3-15(21-22-16)12-5-8-19-9-6-12;23-16-10-12-3-4-19-11-13(12)9-14(16)15-1-2-17(21-20-15)22-7-5-18-6-8-22/h7-12,16,29,31H,13-14H2,1-6H3;7-12,17,28,30H,13-14H2,1-6H3;2*2-5,10-11,20,25H,6-9H2;1-5,7,10-11,19,23H,6,8-9H2;1-4,9-11,18,23H,5-8H2.

What are the key properties of 2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol?

2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol has a molecular weight of 2131.54 g/mol, XLogP of 17.68, 15 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-isocyano-6-(6-piperazin-1-ylpyridazin-3-yl)quinolin-7-ol;2-isocyano-7-(6-piperazin-1-ylpyridazin-3-yl)quinolin-6-ol;methyl 6-hydroxy-7-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]quinoline-2-carboxylate;1-methyl-6-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]isoquinolin-7-ol;7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol;7-[6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazin-3-yl]quinolin-6-ol is sourced from PubChem (CID 157434385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).