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

C111H102Br4N24O — CID 158713804

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

4-[[3-[[2-(4-bromophenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-[[3-[[2-(4-bromophenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]-6-methylpyridin-3-ol;2-(4-bromophenyl)-N-[[4-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-bromophenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine (PubChem CID 158713804) has the molecular formula C111H102Br4N24O and a molecular weight of 2107.82 g/mol. Its IUPAC name is 4-[[3-[[2-(4-bromophenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-[[3-[[2-(4-bromophenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]-6-methylpyridin-3-ol;2-(4-bromophenyl)-N-[[4-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-bromophenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine.

Molecular Properties

• Compound Name: 4-[[3-[[2-(4-bromophenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-[[3-[[2-(4-bromophenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]-6-methylpyridin-3-ol;2-(4-bromophenyl)-N-[[4-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-bromophenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine
• PubChem CID: 158713804
• Molecular Formula: C111H102Br4N24O
• Molecular Weight: 2107.82 g/mol
• Exact Mass: 2102.54
• IUPAC Name: 4-[[3-[[2-(4-bromophenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-[[3-[[2-(4-bromophenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]-6-methylpyridin-3-ol;2-(4-bromophenyl)-N-[[4-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-bromophenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine
• SMILES: Brc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2Cc2ccccn2)cc1.Cc1ccc(O)c(Cn2cnnc2CN(CCc2ccc(Br)cc2)Cc2ccc3ccccc3n2)n1.Cc1cccc(Cn2cnnc2CN(CCc2ccc(Br)cc2)Cc2ccc3ccccc3n2)n1.N#Cc1ccc(Cn2cnnc2CN(CCc2ccc(Br)cc2)c2ccc3ccccc3n2)cc1
• InChI: InChI=1S/C28H27BrN6O.C28H27BrN6.C28H23BrN6.C27H25BrN6/c1-20-6-13-27(36)26(31-20)17-35-19-30-33-28(35)18-34(15-14-21-7-10-23(29)11-8-21)16-24-12-9-22-4-2-3-5-25(22)32-24;1-21-5-4-7-25(31-21)18-35-20-30-33-28(35)19-34(16-15-22-9-12-24(29)13-10-22)17-26-14-11-23-6-2-3-8-27(23)32-26;29-25-12-9-21(10-13-25)15-16-34(27-14-11-24-3-1-2-4-26(24)32-27)19-28-33-31-20-35(28)18-23-7-5-22(17-30)6-8-23;28-23-11-8-21(9-12-23)14-16-33(17-25-13-10-22-5-1-2-7-26(22)31-25)19-27-32-30-20-34(27)18-24-6-3-4-15-29-24/h2-13,19,36H,14-18H2,1H3;2-14,20H,15-19H2,1H3;1-14,20H,15-16,18-19H2;1-13,15,20H,14,16-19H2
• InChIKey: IJBBYULCNVHOBF-UHFFFAOYSA-N
• XLogP: 21.91
• TPSA: 270.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 35
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2107.82
LogP ≤ 5	21.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 4-[[3-[[2-(4-bromophenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-[[3-[[2-(4-bromophenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]-6-methylpyridin-3-ol;2-(4-bromophenyl)-N-[[4-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-bromophenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine (CID 158713804) is 4-[[3-[[2-(4-bromophenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-[[3-[[2-(4-bromophenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]-6-methylpyridin-3-ol;2-(4-bromophenyl)-N-[[4-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-bromophenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine.

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

The canonical SMILES for 4-[[3-[[2-(4-bromophenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-[[3-[[2-(4-bromophenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]-6-methylpyridin-3-ol;2-(4-bromophenyl)-N-[[4-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-bromophenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine is Brc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2Cc2ccccn2)cc1.Cc1ccc(O)c(Cn2cnnc2CN(CCc2ccc(Br)cc2)Cc2ccc3ccccc3n2)n1.Cc1cccc(Cn2cnnc2CN(CCc2ccc(Br)cc2)Cc2ccc3ccccc3n2)n1.N#Cc1ccc(Cn2cnnc2CN(CCc2ccc(Br)cc2)c2ccc3ccccc3n2)cc1.

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

The InChIKey is IJBBYULCNVHOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27BrN6O.C28H27BrN6.C28H23BrN6.C27H25BrN6/c1-20-6-13-27(36)26(31-20)17-35-19-30-33-28(35)18-34(15-14-21-7-10-23(29)11-8-21)16-24-12-9-22-4-2-3-5-25(22)32-24;1-21-5-4-7-25(31-21)18-35-20-30-33-28(35)19-34(16-15-22-9-12-24(29)13-10-22)17-26-14-11-23-6-2-3-8-27(23)32-26;29-25-12-9-21(10-13-25)15-16-34(27-14-11-24-3-1-2-4-26(24)32-27)19-28-33-31-20-35(28)18-23-7-5-22(17-30)6-8-23;28-23-11-8-21(9-12-23)14-16-33(17-25-13-10-22-5-1-2-7-26(22)31-25)19-27-32-30-20-34(27)18-24-6-3-4-15-29-24/h2-13,19,36H,14-18H2,1H3;2-14,20H,15-19H2,1H3;1-14,20H,15-16,18-19H2;1-13,15,20H,14,16-19H2.

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

4-[[3-[[2-(4-bromophenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-[[3-[[2-(4-bromophenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]-6-methylpyridin-3-ol;2-(4-bromophenyl)-N-[[4-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-bromophenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine has a molecular weight of 2107.82 g/mol, XLogP of 21.91, 35 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[[2-(4-bromophenyl)ethyl-quinolin-2-ylamino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;2-[[3-[[2-(4-bromophenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]-6-methylpyridin-3-ol;2-(4-bromophenyl)-N-[[4-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-bromophenyl)-N-[[4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine is sourced from PubChem (CID 158713804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).