4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate

C143H106N24O8 — CID 162177299

About 4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate

4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate (PubChem CID 162177299) has the molecular formula C143H106N24O8 and a molecular weight of 2288.58 g/mol. Its IUPAC name is 4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate.

Molecular Properties

• Compound Name: 4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate
• PubChem CID: 162177299
• Molecular Formula: C143H106N24O8
• Molecular Weight: 2288.58 g/mol
• Exact Mass: 2286.86
• IUPAC Name: 4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate
• SMILES: CC(=O)Oc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1.CCCCOc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1.CCCOc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1.COc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1.O=C(Oc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1)c1ccccc1.Oc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1
• InChI: InChI=1S/C28H18N4O2.C25H22N4O.C24H20N4O.C23H16N4O2.C22H16N4O.C21H14N4O/c33-28(20-6-2-1-3-7-20)34-22-12-10-19(11-13-22)21-15-17-32-26(18-21)30-31-27(32)24-14-16-29-25-9-5-4-8-23(24)25;1-2-3-16-30-20-10-8-18(9-11-20)19-13-15-29-24(17-19)27-28-25(29)22-12-14-26-23-7-5-4-6-21(22)23;1-2-15-29-19-9-7-17(8-10-19)18-12-14-28-23(16-18)26-27-24(28)21-11-13-25-22-6-4-3-5-20(21)22;1-15(28)29-18-8-6-16(7-9-18)17-11-13-27-22(14-17)25-26-23(27)20-10-12-24-21-5-3-2-4-19(20)21;1-27-17-8-6-15(7-9-17)16-11-13-26-21(14-16)24-25-22(26)19-10-12-23-20-5-3-2-4-18(19)20;26-16-7-5-14(6-8-16)15-10-12-25-20(13-15)23-24-21(25)18-9-11-22-19-4-2-1-3-17(18)19/h1-18H;4-15,17H,2-3,16H2,1H3;3-14,16H,2,15H2,1H3;2-14H,1H3;2-14H,1H3;1-13,26H
• InChIKey: ZONZXTSOONMUQN-UHFFFAOYSA-N
• XLogP: 30.50
• TPSA: 359.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2288.58
LogP ≤ 5	30.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate?

The IUPAC name of 4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate (CID 162177299) is 4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate.

What is the SMILES notation for 4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate?

The canonical SMILES for 4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate is CC(=O)Oc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1.CCCCOc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1.CCCOc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1.COc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1.O=C(Oc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1)c1ccccc1.Oc1ccc(-c2ccn3c(-c4ccnc5ccccc45)nnc3c2)cc1.

What is the InChIKey of 4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate?

The InChIKey is ZONZXTSOONMUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O2.C25H22N4O.C24H20N4O.C23H16N4O2.C22H16N4O.C21H14N4O/c33-28(20-6-2-1-3-7-20)34-22-12-10-19(11-13-22)21-15-17-32-26(18-21)30-31-27(32)24-14-16-29-25-9-5-4-8-23(24)25;1-2-3-16-30-20-10-8-18(9-11-20)19-13-15-29-24(17-19)27-28-25(29)22-12-14-26-23-7-5-4-6-21(22)23;1-2-15-29-19-9-7-17(8-10-19)18-12-14-28-23(16-18)26-27-24(28)21-11-13-25-22-6-4-3-5-20(21)22;1-15(28)29-18-8-6-16(7-9-18)17-11-13-27-22(14-17)25-26-23(27)20-10-12-24-21-5-3-2-4-19(20)21;1-27-17-8-6-15(7-9-17)16-11-13-26-21(14-16)24-25-22(26)19-10-12-23-20-5-3-2-4-18(19)20;26-16-7-5-14(6-8-16)15-10-12-25-20(13-15)23-24-21(25)18-9-11-22-19-4-2-1-3-17(18)19/h1-18H;4-15,17H,2-3,16H2,1H3;3-14,16H,2,15H2,1H3;2-14H,1H3;2-14H,1H3;1-13,26H.

What are the key properties of 4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate?

4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate has a molecular weight of 2288.58 g/mol, XLogP of 30.50, 23 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-(4-butoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-[7-(4-propoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]quinoline;4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenol;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] acetate;[4-(3-quinolin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)phenyl] benzoate is sourced from PubChem (CID 162177299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).