7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate

C136H97Cl13N30O3 — CID 159985504

About 7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate

7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate (PubChem CID 159985504) has the molecular formula C136H97Cl13N30O3 and a molecular weight of 2660.37 g/mol. Its IUPAC name is 7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate.

Molecular Properties

• Compound Name: 7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate
• PubChem CID: 159985504
• Molecular Formula: C136H97Cl13N30O3
• Molecular Weight: 2660.37 g/mol
• Exact Mass: 2652.43
• IUPAC Name: 7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate
• SMILES: CCOC(=O)c1cn2c(cc(-c3cccc(Cl)c3)c3cc(C(O)(c4ccc(Cl)cc4)c4cncn4C)ccc32)n1.Cn1cncc1C(Cl)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(Cl)c1nnnn12.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(Cl)c1nnnn12.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(N)n12.Cn1cncc1C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12
• InChI: InChI=1S/C31H24Cl2N4O3.C27H21Cl2N7.C26H16Cl4N6.C26H18Cl3N7.C26H18Cl2N6/c1-3-40-30(38)26-17-37-27-12-9-21(14-25(27)24(15-29(37)35-26)19-5-4-6-23(33)13-19)31(39,28-16-34-18-36(28)2)20-7-10-22(32)11-8-20;1-35-15-32-14-24(35)27(31,17-5-8-19(28)9-6-17)18-7-10-23-22(12-18)21(16-3-2-4-20(29)11-16)13-25-33-34-26(30)36(23)25;2*1-35-14-31-13-22(35)26(30,16-5-8-18(27)9-6-16)17-7-10-21-20(12-17)23(15-3-2-4-19(28)11-15)24(29)25-32-33-34-36(21)25;1-33-15-29-14-24(33)26(16-5-8-19(27)9-6-16)18-7-10-23-22(12-18)21(13-25-30-31-32-34(23)25)17-3-2-4-20(28)11-17/h4-18,39H,3H2,1-2H3;2-15H,31H2,1H3,(H2,30,34);2-14H,1H3;2-14H,30H2,1H3;2-15,26H,1H3
• InChIKey: OGGZBNRVUROGND-UHFFFAOYSA-N
• XLogP: 31.30
• TPSA: 390.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2660.37
LogP ≤ 5	31.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate?

The IUPAC name of 7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate (CID 159985504) is 7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate.

What is the SMILES notation for 7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate?

The canonical SMILES for 7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate is CCOC(=O)c1cn2c(cc(-c3cccc(Cl)c3)c3cc(C(O)(c4ccc(Cl)cc4)c4cncn4C)ccc32)n1.Cn1cncc1C(Cl)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(Cl)c1nnnn12.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(Cl)c1nnnn12.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnc(N)n12.Cn1cncc1C(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.

What is the InChIKey of 7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate?

The InChIKey is OGGZBNRVUROGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24Cl2N4O3.C27H21Cl2N7.C26H16Cl4N6.C26H18Cl3N7.C26H18Cl2N6/c1-3-40-30(38)26-17-37-27-12-9-21(14-25(27)24(15-29(37)35-26)19-5-4-6-23(33)13-19)31(39,28-16-34-18-36(28)2)20-7-10-22(32)11-8-20;1-35-15-32-14-24(35)27(31,17-5-8-19(28)9-6-17)18-7-10-23-22(12-18)21(16-3-2-4-20(29)11-16)13-25-33-34-26(30)36(23)25;2*1-35-14-31-13-22(35)26(30,16-5-8-18(27)9-6-16)17-7-10-21-20(12-17)23(15-3-2-4-19(28)11-15)24(29)25-32-33-34-36(21)25;1-33-15-29-14-24(33)26(16-5-8-19(27)9-6-16)18-7-10-23-22(12-18)21(13-25-30-31-32-34(23)25)17-3-2-4-20(28)11-17/h4-18,39H,3H2,1-2H3;2-15H,31H2,1H3,(H2,30,34);2-14H,1H3;2-14H,30H2,1H3;2-15,26H,1H3.

What are the key properties of 7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate?

7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate has a molecular weight of 2660.37 g/mol, XLogP of 31.30, 22 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-1-amine;4-chloro-7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)tetrazolo[1,5-a]quinoline;[4-chloro-5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanamine;5-(3-chlorophenyl)-7-[(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]tetrazolo[1,5-a]quinoline;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate is sourced from PubChem (CID 159985504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).