6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline

C85H66N22O7S — CID 159489964

IUPAC6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
SMILESCOc1cc2nccc(OCc3nnc4ccc(-c5ccccc5)nn34)c2cc1OC.COc1ccc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1cnc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.c1csc(-c2ccc3nnc(COc4ccnc5ccccc45)n3n2)c1
InChIInChI=1S/C23H19N5O3.C22H18N6O.C21H16N6O2.C19H13N5OS/c1-29-20-12-16-18(13-21(20)30-2)24-11-10-19(16)31-14-23-26-25-22-9-8-17(27-28(22)23)15-6-4-3-5-7-15;1-29-16-7-8-17-19(11-12-23-20(17)13-16)24-14-22-26-25-21-10-9-18(27-28(21)22)15-5-3-2-4-6-15;1-28-15-11-17-21(23-12-15)18(9-10-22-17)29-13-20-25-24-19-8-7-16(26-27(19)20)14-5-3-2-4-6-14;1-2-5-14-13(4-1)16(9-10-20-14)25-12-19-22-21-18-8-7-15(23-24(18)19)17-6-3-11-26-17/h3-13H,14H2,1-2H3;2-13H,14H2,1H3,(H,23,24);2-12H,13H2,1H3;1-11H,12H2
InChIKeyLYBGOJGDZHTXJC-UHFFFAOYSA-N
MW1539.68 g/mol
LogP15.20
Rot. Bonds20

About 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline

6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline (PubChem CID 159489964) has the molecular formula C85H66N22O7S and a molecular weight of 1539.68 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
PubChem CID159489964
Molecular FormulaC85H66N22O7S
Molecular Weight1539.68 g/mol
Exact Mass1538.52
IUPAC Name6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
SMILESCOc1cc2nccc(OCc3nnc4ccc(-c5ccccc5)nn34)c2cc1OC.COc1ccc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1cnc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.c1csc(-c2ccc3nnc(COc4ccnc5ccccc45)n3n2)c1
InChIInChI=1S/C23H19N5O3.C22H18N6O.C21H16N6O2.C19H13N5OS/c1-29-20-12-16-18(13-21(20)30-2)24-11-10-19(16)31-14-23-26-25-22-9-8-17(27-28(22)23)15-6-4-3-5-7-15;1-29-16-7-8-17-19(11-12-23-20(17)13-16)24-14-22-26-25-21-10-9-18(27-28(21)22)15-5-3-2-4-6-15;1-28-15-11-17-21(23-12-15)18(9-10-22-17)29-13-20-25-24-19-8-7-16(26-27(19)20)14-5-3-2-4-6-14;1-2-5-14-13(4-1)16(9-10-20-14)25-12-19-22-21-18-8-7-15(23-24(18)19)17-6-3-11-26-17/h3-13H,14H2,1-2H3;2-13H,14H2,1H3,(H,23,24);2-12H,13H2,1H3;1-11H,12H2
InChIKeyLYBGOJGDZHTXJC-UHFFFAOYSA-N
XLogP15.20
TPSA313.41 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms115
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001539.68
LogP ≤ 515.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The IUPAC name of 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline (CID 159489964) is 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline.
What is the SMILES notation for 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The canonical SMILES for 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline is COc1cc2nccc(OCc3nnc4ccc(-c5ccccc5)nn34)c2cc1OC.COc1ccc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1cnc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.c1csc(-c2ccc3nnc(COc4ccnc5ccccc45)n3n2)c1.
What is the InChIKey of 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The InChIKey is LYBGOJGDZHTXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3.C22H18N6O.C21H16N6O2.C19H13N5OS/c1-29-20-12-16-18(13-21(20)30-2)24-11-10-19(16)31-14-23-26-25-22-9-8-17(27-28(22)23)15-6-4-3-5-7-15;1-29-16-7-8-17-19(11-12-23-20(17)13-16)24-14-22-26-25-21-10-9-18(27-28(21)22)15-5-3-2-4-6-15;1-28-15-11-17-21(23-12-15)18(9-10-22-17)29-13-20-25-24-19-8-7-16(26-27(19)20)14-5-3-2-4-6-14;1-2-5-14-13(4-1)16(9-10-20-14)25-12-19-22-21-18-8-7-15(23-24(18)19)17-6-3-11-26-17/h3-13H,14H2,1-2H3;2-13H,14H2,1H3,(H,23,24);2-12H,13H2,1H3;1-11H,12H2.
What are the key properties of 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline has a molecular weight of 1539.68 g/mol, XLogP of 15.20, 20 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;3-methoxy-8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-1,5-naphthyridine;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline is sourced from PubChem (CID 159489964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).