7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine

C111H105Cl2N27O10 — CID 159127308

About 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine

7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine (PubChem CID 159127308) has the molecular formula C111H105Cl2N27O10 and a molecular weight of 2048.15 g/mol. Its IUPAC name is 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine.

Molecular Properties

• Compound Name: 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine
• PubChem CID: 159127308
• Molecular Formula: C111H105Cl2N27O10
• Molecular Weight: 2048.15 g/mol
• Exact Mass: 2045.79
• IUPAC Name: 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine
• SMILES: C.C.C.C.C.COc1ccc2c(OCc3nnc4ccc(-c5ccc(CN6CCOCC6)cc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc[nH]5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(Cl)nn34)ccnc2c1.Clc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
• InChI: InChI=1S/C27H26N6O3.C22H17N5O2.C21H14ClN5O.C20H16N6O2.C16H12ClN5O2.5CH4/c1-34-21-6-7-22-24(16-21)28-11-10-25(22)36-18-27-30-29-26-9-8-23(31-33(26)27)20-4-2-19(3-5-20)17-32-12-14-35-15-13-32;1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15;22-15-6-7-16-18(12-15)23-11-10-19(16)28-13-21-25-24-20-9-8-17(26-27(20)21)14-4-2-1-3-5-14;1-27-13-4-5-14-17(11-13)22-10-8-18(14)28-12-20-24-23-19-7-6-16(25-26(19)20)15-3-2-9-21-15;1-23-10-2-3-11-12(8-10)18-7-6-13(11)24-9-16-20-19-15-5-4-14(17)21-22(15)16;;;;;/h2-11,16H,12-15,17-18H2,1H3;2-13H,14H2,1H3;1-12H,13H2;2-11,21H,12H2,1H3;2-8H,9H2,1H3;5*1H4
• InChIKey: KGLFFKKRCIWJEL-UHFFFAOYSA-N
• XLogP: 21.61
• TPSA: 391.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2048.15
LogP ≤ 5	21.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine?

The IUPAC name of 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine (CID 159127308) is 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine.

What is the SMILES notation for 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine?

The canonical SMILES for 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine is C.C.C.C.C.COc1ccc2c(OCc3nnc4ccc(-c5ccc(CN6CCOCC6)cc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc[nH]5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(Cl)nn34)ccnc2c1.Clc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.

What is the InChIKey of 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine?

The InChIKey is KGLFFKKRCIWJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3.C22H17N5O2.C21H14ClN5O.C20H16N6O2.C16H12ClN5O2.5CH4/c1-34-21-6-7-22-24(16-21)28-11-10-25(22)36-18-27-30-29-26-9-8-23(31-33(26)27)20-4-2-19(3-5-20)17-32-12-14-35-15-13-32;1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15;22-15-6-7-16-18(12-15)23-11-10-19(16)28-13-21-25-24-20-9-8-17(26-27(20)21)14-4-2-1-3-5-14;1-27-13-4-5-14-17(11-13)22-10-8-18(14)28-12-20-24-23-19-7-6-16(25-26(19)20)15-3-2-9-21-15;1-23-10-2-3-11-12(8-10)18-7-6-13(11)24-9-16-20-19-15-5-4-14(17)21-22(15)16;;;;;/h2-11,16H,12-15,17-18H2,1H3;2-13H,14H2,1H3;1-12H,13H2;2-11,21H,12H2,1H3;2-8H,9H2,1H3;5*1H4.

What are the key properties of 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine?

7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine has a molecular weight of 2048.15 g/mol, XLogP of 21.61, 25 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-7-methoxyquinoline;methane;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 159127308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).