methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile

C117H116N24O — CID 158275385

About methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile

methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile (PubChem CID 158275385) has the molecular formula C117H116N24O and a molecular weight of 1874.38 g/mol. Its IUPAC name is methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile.

Molecular Properties

• Compound Name: methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile
• PubChem CID: 158275385
• Molecular Formula: C117H116N24O
• Molecular Weight: 1874.38 g/mol
• Exact Mass: 1872.98
• IUPAC Name: methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile
• SMILES: C.Cc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2Cc2ccccn2)cc1.Cc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2Cc2nc(C)ccc2O)cc1.Cc1ccc(CCN(Cc2nncn2Cc2ccc(C#N)cc2)c2ccc3ccccc3n2)cc1.N#Cc1ccc(Cn2cnnc2CN(CCCc2ccccc2)Cc2ccc3ccccc3n2)cc1
• InChI: InChI=1S/C30H28N6.C29H30N6O.C29H26N6.C28H28N6.CH4/c31-19-25-12-14-26(15-13-25)20-36-23-32-34-30(36)22-35(18-6-9-24-7-2-1-3-8-24)21-28-17-16-27-10-4-5-11-29(27)33-28;1-21-7-10-23(11-8-21)15-16-34(17-25-13-12-24-5-3-4-6-26(24)32-25)19-29-33-30-20-35(29)18-27-28(36)14-9-22(2)31-27;1-22-6-8-23(9-7-22)16-17-34(28-15-14-26-4-2-3-5-27(26)32-28)20-29-33-31-21-35(29)19-25-12-10-24(18-30)11-13-25;1-22-9-11-23(12-10-22)15-17-33(18-26-14-13-24-6-2-3-8-27(24)31-26)20-28-32-30-21-34(28)19-25-7-4-5-16-29-25;/h1-5,7-8,10-17,23H,6,9,18,20-22H2;3-14,20,36H,15-19H2,1-2H3;2-15,21H,16-17,19-20H2,1H3;2-14,16,21H,15,17-20H2,1H3;1H4
• InChIKey: GJNTXDOLWONWKL-UHFFFAOYSA-N
• XLogP: 20.98
• TPSA: 280.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 36
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1874.38
LogP ≤ 5	20.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile?

The IUPAC name of methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile (CID 158275385) is methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile.

What is the SMILES notation for methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile?

The canonical SMILES for methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile is C.Cc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2Cc2ccccn2)cc1.Cc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2Cc2nc(C)ccc2O)cc1.Cc1ccc(CCN(Cc2nncn2Cc2ccc(C#N)cc2)c2ccc3ccccc3n2)cc1.N#Cc1ccc(Cn2cnnc2CN(CCCc2ccccc2)Cc2ccc3ccccc3n2)cc1.

What is the InChIKey of methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile?

The InChIKey is GJNTXDOLWONWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6.C29H30N6O.C29H26N6.C28H28N6.CH4/c31-19-25-12-14-26(15-13-25)20-36-23-32-34-30(36)22-35(18-6-9-24-7-2-1-3-8-24)21-28-17-16-27-10-4-5-11-29(27)33-28;1-21-7-10-23(11-8-21)15-16-34(17-25-13-12-24-5-3-4-6-26(24)32-25)19-29-33-30-20-35(29)18-27-28(36)14-9-22(2)31-27;1-22-6-8-23(9-7-22)16-17-34(28-15-14-26-4-2-3-5-27(26)32-28)20-29-33-31-21-35(29)19-25-12-10-24(18-30)11-13-25;1-22-9-11-23(12-10-22)15-17-33(18-26-14-13-24-6-2-3-8-27(24)31-26)20-28-32-30-21-34(28)19-25-7-4-5-16-29-25;/h1-5,7-8,10-17,23H,6,9,18,20-22H2;3-14,20,36H,15-19H2,1-2H3;2-15,21H,16-17,19-20H2,1H3;2-14,16,21H,15,17-20H2,1H3;1H4.

What are the key properties of methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile?

methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile has a molecular weight of 1874.38 g/mol, XLogP of 20.98, 36 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for methane;6-methyl-2-[[3-[[2-(4-methylphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]pyridin-3-ol;4-[[3-[[2-(4-methylphenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-(4-methylphenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;4-[[3-[[3-phenylpropyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile is sourced from PubChem (CID 158275385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).