7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol

C139H109Cl9N30O — CID 159746426

About 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol

7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol (PubChem CID 159746426) has the molecular formula C139H109Cl9N30O and a molecular weight of 2534.69 g/mol. Its IUPAC name is 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol.

Molecular Properties

• Compound Name: 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
• PubChem CID: 159746426
• Molecular Formula: C139H109Cl9N30O
• Molecular Weight: 2534.69 g/mol
• Exact Mass: 2528.66
• IUPAC Name: 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
• SMILES: CCc1cccc(-c2cc3nnnn3c3ccc(C(Cl)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.CCc1cccc(-c2cc3nnnn3c3ccc(C(N)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cc1cccc(-c2cc3nnnn3c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cc1nnc2cc(-c3cccc(Cl)c3)c3cc(C(Cl)(c4ccc(Cl)cc4)c4cncn4C)ccc3n12.Cc1nnc2cc(-c3cccc(Cl)c3)c3cc(C(N)(c4ccc(Cl)cc4)c4cncn4C)ccc3n12
• InChI: InChI=1S/C28H20Cl3N5.2C28H22Cl2N6.C28H24ClN7.C27H21ClN6O/c2*1-17-33-34-27-14-23(18-4-3-5-22(30)12-18)24-13-20(8-11-25(24)36(17)27)28(31,26-15-32-16-35(26)2)19-6-9-21(29)10-7-19;2*1-3-18-5-4-6-19(13-18)23-15-27-32-33-34-36(27)25-12-9-21(14-24(23)25)28(30,26-16-31-17-35(26)2)20-7-10-22(29)11-8-20;1-17-4-3-5-18(12-17)22-14-26-30-31-32-34(26)24-11-8-20(13-23(22)24)27(35,25-15-29-16-33(25)2)19-6-9-21(28)10-7-19/h3-16H,1-2H3;3-16H,31H2,1-2H3;4-17H,3H2,1-2H3;4-17H,3,30H2,1-2H3;3-16,35H,1-2H3
• InChIKey: NDCBETLCCYTJHC-UHFFFAOYSA-N
• XLogP: 30.07
• TPSA: 350.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2534.69
LogP ≤ 5	30.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol?

The IUPAC name of 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol (CID 159746426) is 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol.

What is the SMILES notation for 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol?

The canonical SMILES for 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol is CCc1cccc(-c2cc3nnnn3c3ccc(C(Cl)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.CCc1cccc(-c2cc3nnnn3c3ccc(C(N)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cc1cccc(-c2cc3nnnn3c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cc1nnc2cc(-c3cccc(Cl)c3)c3cc(C(Cl)(c4ccc(Cl)cc4)c4cncn4C)ccc3n12.Cc1nnc2cc(-c3cccc(Cl)c3)c3cc(C(N)(c4ccc(Cl)cc4)c4cncn4C)ccc3n12.

What is the InChIKey of 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol?

The InChIKey is NDCBETLCCYTJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl3N5.2C28H22Cl2N6.C28H24ClN7.C27H21ClN6O/c2*1-17-33-34-27-14-23(18-4-3-5-22(30)12-18)24-13-20(8-11-25(24)36(17)27)28(31,26-15-32-16-35(26)2)19-6-9-21(29)10-7-19;2*1-3-18-5-4-6-19(13-18)23-15-27-32-33-34-36(27)25-12-9-21(14-24(23)25)28(30,26-16-31-17-35(26)2)20-7-10-22(29)11-8-20;1-17-4-3-5-18(12-17)22-14-26-30-31-32-34(26)24-11-8-20(13-23(22)24)27(35,25-15-29-16-33(25)2)19-6-9-21(28)10-7-19/h3-16H,1-2H3;3-16H,31H2,1-2H3;4-17H,3H2,1-2H3;4-17H,3,30H2,1-2H3;3-16,35H,1-2H3.

What are the key properties of 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol?

7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol has a molecular weight of 2534.69 g/mol, XLogP of 30.07, 22 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinoline;7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-ethylphenyl)tetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-[5-(3-ethylphenyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanamine;(4-chlorophenyl)-(3-methylimidazol-4-yl)-[5-(3-methylphenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol is sourced from PubChem (CID 159746426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).