7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(dimethylamino)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate

C141H108Cl11N29O6 — CID 158881642

About 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(dimethylamino)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate

7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(dimethylamino)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate (PubChem CID 158881642) has the molecular formula C141H108Cl11N29O6 and a molecular weight of 2694.59 g/mol. Its IUPAC name is 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(dimethylamino)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate.

Molecular Properties

• Compound Name: 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(dimethylamino)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate
• PubChem CID: 158881642
• Molecular Formula: C141H108Cl11N29O6
• Molecular Weight: 2694.59 g/mol
• Exact Mass: 2687.56
• IUPAC Name: 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(dimethylamino)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate
• SMILES: CCOC(=O)c1cn2c(cc(-c3cccc(Cl)c3)c3cc(C(O)(c4ccc(Cl)cc4)c4nccn4C)ccc32)n1.CCc1c(-c2cccc(Cl)c2)c2cc(C(Cl)(c3ccc(Cl)cc3)c3cncn3C)ccc2n2nnnc12.CCc1c(-c2cccc(Cl)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n2nnnc12.CN(C)c1c(-c2cccc(Cl)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n2nnnc12.Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12
• InChI: InChI=1S/C31H24Cl2N4O3.C28H21Cl3N6.C28H23Cl2N7O.C28H22Cl2N6O.C26H18Cl2N6O/c1-3-40-29(38)26-18-37-27-12-9-21(16-25(27)24(17-28(37)35-26)19-5-4-6-23(33)15-19)31(39,30-34-13-14-36(30)2)20-7-10-22(32)11-8-20;1-3-22-26(17-5-4-6-21(30)13-17)23-14-19(9-12-24(23)37-27(22)33-34-35-37)28(31,25-15-32-16-36(25)2)18-7-10-20(29)11-8-18;1-35(2)26-25(17-5-4-6-21(30)13-17)22-14-19(9-12-23(22)37-27(26)32-33-34-37)28(38,24-15-31-16-36(24)3)18-7-10-20(29)11-8-18;1-3-22-26(17-5-4-6-21(30)13-17)23-14-19(9-12-24(23)36-27(22)32-33-34-36)28(37,25-15-31-16-35(25)2)18-7-10-20(29)11-8-18;1-33-12-11-29-25(33)26(35,17-5-8-19(27)9-6-17)18-7-10-23-22(14-18)21(15-24-30-31-32-34(23)24)16-3-2-4-20(28)13-16/h4-18,39H,3H2,1-2H3;4-16H,3H2,1-2H3;4-16,38H,1-3H3;4-16,37H,3H2,1-2H3;2-15,35H,1H3
• InChIKey: JDCFQHJXFSIGBB-UHFFFAOYSA-N
• XLogP: 30.17
• TPSA: 389.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2694.59
LogP ≤ 5	30.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

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)-4-ethyltetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(dimethylamino)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate?

The IUPAC name of 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(dimethylamino)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate (CID 158881642) is 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(dimethylamino)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate.

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

The canonical SMILES for 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(dimethylamino)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate is CCOC(=O)c1cn2c(cc(-c3cccc(Cl)c3)c3cc(C(O)(c4ccc(Cl)cc4)c4nccn4C)ccc32)n1.CCc1c(-c2cccc(Cl)c2)c2cc(C(Cl)(c3ccc(Cl)cc3)c3cncn3C)ccc2n2nnnc12.CCc1c(-c2cccc(Cl)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n2nnnc12.CN(C)c1c(-c2cccc(Cl)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3cncn3C)ccc2n2nnnc12.Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12.

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

The InChIKey is JDCFQHJXFSIGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24Cl2N4O3.C28H21Cl3N6.C28H23Cl2N7O.C28H22Cl2N6O.C26H18Cl2N6O/c1-3-40-29(38)26-18-37-27-12-9-21(16-25(27)24(17-28(37)35-26)19-5-4-6-23(33)15-19)31(39,30-34-13-14-36(30)2)20-7-10-22(32)11-8-20;1-3-22-26(17-5-4-6-21(30)13-17)23-14-19(9-12-24(23)37-27(22)33-34-35-37)28(31,25-15-32-16-36(25)2)18-7-10-20(29)11-8-18;1-35(2)26-25(17-5-4-6-21(30)13-17)22-14-19(9-12-23(22)37-27(26)32-33-34-37)28(38,24-15-31-16-36(24)3)18-7-10-20(29)11-8-18;1-3-22-26(17-5-4-6-21(30)13-17)23-14-19(9-12-24(23)36-27(22)32-33-34-36)28(37,25-15-31-16-35(25)2)18-7-10-20(29)11-8-18;1-33-12-11-29-25(33)26(35,17-5-8-19(27)9-6-17)18-7-10-23-22(14-18)21(15-24-30-31-32-34(23)24)16-3-2-4-20(28)13-16/h4-18,39H,3H2,1-2H3;4-16H,3H2,1-2H3;4-16,38H,1-3H3;4-16,37H,3H2,1-2H3;2-15,35H,1H3.

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

7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(dimethylamino)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate has a molecular weight of 2694.59 g/mol, XLogP of 30.17, 25 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinoline;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(dimethylamino)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)-4-ethyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol;(4-chlorophenyl)-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(1-methylimidazol-2-yl)methanol;ethyl 5-(3-chlorophenyl)-7-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]quinoline-2-carboxylate is sourced from PubChem (CID 158881642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).