7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline

C72H64N18O5 — CID 157370085

About 7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline

7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline (PubChem CID 157370085) has the molecular formula C72H64N18O5 and a molecular weight of 1261.42 g/mol. Its IUPAC name is 7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline.

Molecular Properties

• Compound Name: 7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline
• PubChem CID: 157370085
• Molecular Formula: C72H64N18O5
• Molecular Weight: 1261.42 g/mol
• Exact Mass: 1260.53
• IUPAC Name: 7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline
• SMILES: COc1ccc2c(OCc3nnc4ccc(-c5ccc(CN(C)C)cc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(CN6CCCC6)cc5)nn34)ccnc2c1.c1ccc(-c2ccc3nnc(COc4ncnc5ccccc45)n3n2)cc1
• InChI: InChI=1S/C27H26N6O2.C25H24N6O2.C20H14N6O/c1-34-21-8-9-22-24(16-21)28-13-12-25(22)35-18-27-30-29-26-11-10-23(31-33(26)27)20-6-4-19(5-7-20)17-32-14-2-3-15-32;1-30(2)15-17-4-6-18(7-5-17)21-10-11-24-27-28-25(31(24)29-21)16-33-23-12-13-26-22-14-19(32-3)8-9-20(22)23;1-2-6-14(7-3-1)16-10-11-18-23-24-19(26(18)25-16)12-27-20-15-8-4-5-9-17(15)21-13-22-20/h4-13,16H,2-3,14-15,17-18H2,1H3;4-14H,15-16H2,1-3H3;1-11,13H,12H2
• InChIKey: BJQRWTZORKGBCM-UHFFFAOYSA-N
• XLogP: 11.83
• TPSA: 233.43 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1261.42
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline?

The IUPAC name of 7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline (CID 157370085) is 7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline.

What is the SMILES notation for 7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline?

The canonical SMILES for 7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline is COc1ccc2c(OCc3nnc4ccc(-c5ccc(CN(C)C)cc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(CN6CCCC6)cc5)nn34)ccnc2c1.c1ccc(-c2ccc3nnc(COc4ncnc5ccccc45)n3n2)cc1.

What is the InChIKey of 7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline?

The InChIKey is BJQRWTZORKGBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2.C25H24N6O2.C20H14N6O/c1-34-21-8-9-22-24(16-21)28-13-12-25(22)35-18-27-30-29-26-11-10-23(31-33(26)27)20-6-4-19(5-7-20)17-32-14-2-3-15-32;1-30(2)15-17-4-6-18(7-5-17)21-10-11-24-27-28-25(31(24)29-21)16-33-23-12-13-26-22-14-19(32-3)8-9-20(22)23;1-2-6-14(7-3-1)16-10-11-18-23-24-19(26(18)25-16)12-27-20-15-8-4-5-9-17(15)21-13-22-20/h4-13,16H,2-3,14-15,17-18H2,1H3;4-14H,15-16H2,1-3H3;1-11,13H,12H2.

What are the key properties of 7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline?

7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline has a molecular weight of 1261.42 g/mol, XLogP of 11.83, 18 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-4-[[6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;1-[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]-N,N-dimethylmethanamine;4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinazoline is sourced from PubChem (CID 157370085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).