5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine

C198H164ClN41O12 — CID 159030945

About 5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine

5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 159030945) has the molecular formula C198H164ClN41O12 and a molecular weight of 3345.22 g/mol. Its IUPAC name is 5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine
• PubChem CID: 159030945
• Molecular Formula: C198H164ClN41O12
• Molecular Weight: 3345.22 g/mol
• Exact Mass: 3342.32
• IUPAC Name: 5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine
• SMILES: COc1cc2ncnc(Oc3cccc(-c4nc(Nc5cccc(C)c5)n[nH]4)c3)c2cc1OC.COc1ccc2c(Oc3cccc(-c4nc(Nc5cccc(C)c5)n[nH]4)c3)ccnc2c1.Cc1cccc(Nc2n[nH]c(-c3cccc(OCc4cc(=O)[nH]c5ccccc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(C)nc5ccccc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(C)nc5ccccc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc5cc(Cl)ccc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc5ccc(C)cc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4nccc5ccccc45)c3)n2)c1
• InChI: InChI=1S/C25H22N6O3.2C25H21N5O2.3C25H21N5O.C24H18ClN5O.C24H19N5O/c1-15-6-4-8-17(10-15)28-25-29-23(30-31-25)16-7-5-9-18(11-16)34-24-19-12-21(32-2)22(33-3)13-20(19)26-14-27-24;1-16-5-3-7-18(13-16)27-25-28-24(29-30-25)17-6-4-8-20(14-17)32-23-11-12-26-22-15-19(31-2)9-10-21(22)23;1-16-6-4-8-19(12-16)26-25-28-24(29-30-25)17-7-5-9-20(13-17)32-15-18-14-23(31)27-22-11-3-2-10-21(18)22;1-16-5-3-7-19(13-16)27-25-28-24(29-30-25)18-6-4-8-20(15-18)31-23-11-12-26-22-10-9-17(2)14-21(22)23;2*1-16-7-5-9-19(13-16)27-25-28-24(29-30-25)18-8-6-10-20(15-18)31-23-14-17(2)26-22-12-4-3-11-21(22)23;1-15-4-2-6-18(12-15)27-24-28-23(29-30-24)16-5-3-7-19(13-16)31-22-10-11-26-21-14-17(25)8-9-20(21)22;1-16-6-4-9-19(14-16)26-24-27-22(28-29-24)18-8-5-10-20(15-18)30-23-21-11-3-2-7-17(21)12-13-25-23/h4-14H,1-3H3,(H2,28,29,30,31);3-15H,1-2H3,(H2,27,28,29,30);2-14H,15H2,1H3,(H,27,31)(H2,26,28,29,30);3*3-15H,1-2H3,(H2,27,28,29,30);2-14H,1H3,(H2,27,28,29,30);2-15H,1H3,(H2,26,27,28,29)
• InChIKey: JUWKKMRJCZVMTK-UHFFFAOYSA-N
• XLogP: 46.99
• TPSA: 666.31 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 44
• Rotatable Bonds: 44
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3345.22
LogP ≤ 5	46.99
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

The IUPAC name of 5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine (CID 159030945) is 5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for 5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

The canonical SMILES for 5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine is COc1cc2ncnc(Oc3cccc(-c4nc(Nc5cccc(C)c5)n[nH]4)c3)c2cc1OC.COc1ccc2c(Oc3cccc(-c4nc(Nc5cccc(C)c5)n[nH]4)c3)ccnc2c1.Cc1cccc(Nc2n[nH]c(-c3cccc(OCc4cc(=O)[nH]c5ccccc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(C)nc5ccccc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(C)nc5ccccc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc5cc(Cl)ccc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc5ccc(C)cc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4nccc5ccccc45)c3)n2)c1.

What is the InChIKey of 5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

The InChIKey is JUWKKMRJCZVMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3.2C25H21N5O2.3C25H21N5O.C24H18ClN5O.C24H19N5O/c1-15-6-4-8-17(10-15)28-25-29-23(30-31-25)16-7-5-9-18(11-16)34-24-19-12-21(32-2)22(33-3)13-20(19)26-14-27-24;1-16-5-3-7-18(13-16)27-25-28-24(29-30-25)17-6-4-8-20(14-17)32-23-11-12-26-22-15-19(31-2)9-10-21(22)23;1-16-6-4-8-19(12-16)26-25-28-24(29-30-25)17-7-5-9-20(13-17)32-15-18-14-23(31)27-22-11-3-2-10-21(18)22;1-16-5-3-7-19(13-16)27-25-28-24(29-30-25)18-6-4-8-20(15-18)31-23-11-12-26-22-10-9-17(2)14-21(22)23;2*1-16-7-5-9-19(13-16)27-25-28-24(29-30-25)18-8-6-10-20(15-18)31-23-14-17(2)26-22-12-4-3-11-21(22)23;1-15-4-2-6-18(12-15)27-24-28-23(29-30-24)16-5-3-7-19(13-16)31-22-10-11-26-21-14-17(25)8-9-20(21)22;1-16-6-4-9-19(14-16)26-24-27-22(28-29-24)18-8-5-10-20(15-18)30-23-21-11-3-2-7-17(21)12-13-25-23/h4-14H,1-3H3,(H2,28,29,30,31);3-15H,1-2H3,(H2,27,28,29,30);2-14H,15H2,1H3,(H,27,31)(H2,26,28,29,30);3*3-15H,1-2H3,(H2,27,28,29,30);2-14H,1H3,(H2,27,28,29,30);2-15H,1H3,(H2,26,27,28,29).

What are the key properties of 5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 3345.22 g/mol, XLogP of 46.99, 44 rotatable bonds, 17 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(7-chloroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[3-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]methyl]-1H-quinolin-2-one;bis(N-(3-methylphenyl)-5-[3-(2-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine);N-(3-methylphenyl)-5-[3-(6-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 159030945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).