About [2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol
[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol (PubChem CID 139372191) has the molecular formula C53H34Cl3F6N7O2
and a molecular weight of 1021.25 g/mol. Its IUPAC name is [2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol.
Molecular Properties
| Compound Name | [2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol |
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| PubChem CID | 139372191 |
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| Molecular Formula | C53H34Cl3F6N7O2 |
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| Molecular Weight | 1021.25 g/mol |
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| Exact Mass | 1019.17 |
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| IUPAC Name | [2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol |
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| SMILES | Cn1cncc1C(O)(c1cc(-c2ncc(C(O)(c3ccc(Cl)cc3)c3ccc4nc(C(F)(F)F)c(-c5ccccc5)c(Cl)c4c3)n2C)c2nc(C(F)(F)F)c(-c3ccccc3)c(Cl)c2c1)c1ccccn1 |
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| InChI | InChI=1S/C53H34Cl3F6N7O2/c1-68-28-63-26-40(68)51(71,39-15-9-10-22-64-39)33-24-36-45(56)43(30-13-7-4-8-14-30)48(53(60,61)62)67-46(36)37(25-33)49-65-27-41(69(49)2)50(70,31-16-19-34(54)20-17-31)32-18-21-38-35(23-32)44(55)42(29-11-5-3-6-12-29)47(66-38)52(57,58)59/h3-28,70-71H,1-2H3 |
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| InChIKey | FIAOQGIZWQPEIR-UHFFFAOYSA-N |
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| XLogP | 13.21 |
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| TPSA | 114.77 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 71 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1021.25 |
| LogP ≤ 5 | 13.21 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze [2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol with MolForge
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Frequently Asked Questions
What is the IUPAC name of [2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol?
The IUPAC name of [2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol (CID 139372191) is [2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol.
What is the SMILES notation for [2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol?
The canonical SMILES for [2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol is Cn1cncc1C(O)(c1cc(-c2ncc(C(O)(c3ccc(Cl)cc3)c3ccc4nc(C(F)(F)F)c(-c5ccccc5)c(Cl)c4c3)n2C)c2nc(C(F)(F)F)c(-c3ccccc3)c(Cl)c2c1)c1ccccn1.
What is the InChIKey of [2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol?
The InChIKey is FIAOQGIZWQPEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34Cl3F6N7O2/c1-68-28-63-26-40(68)51(71,39-15-9-10-22-64-39)33-24-36-45(56)43(30-13-7-4-8-14-30)48(53(60,61)62)67-46(36)37(25-33)49-65-27-41(69(49)2)50(70,31-16-19-34(54)20-17-31)32-18-21-38-35(23-32)44(55)42(29-11-5-3-6-12-29)47(66-38)52(57,58)59/h3-28,70-71H,1-2H3.
What are the key properties of [2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol?
[2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol has a molecular weight of 1021.25 g/mol, XLogP of 13.21, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-2-ylmethyl]-3-phenyl-2-(trifluoromethyl)quinolin-8-yl]-3-methylimidazol-4-yl]-(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]methanol is sourced from PubChem (CID 139372191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).