About 5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 87964595) has the molecular formula C40H26F6N8
and a molecular weight of 732.69 g/mol. Its IUPAC name is 5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
Molecular Properties
| Compound Name | 5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine |
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| PubChem CID | 87964595 |
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| Molecular Formula | C40H26F6N8 |
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| Molecular Weight | 732.69 g/mol |
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| Exact Mass | 732.22 |
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| IUPAC Name | 5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine |
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| SMILES | FC(F)(F)c1ccc(Nc2cc(-c3cccc4cccnc34)cnn2)cc1.FC(F)(F)c1ccc(Nc2cc(-c3cccc4cccnc34)ncn2)cc1 |
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| InChI | InChI=1S/2C20H13F3N4/c21-20(22,23)15-6-8-16(9-7-15)26-18-11-14(12-25-27-18)17-5-1-3-13-4-2-10-24-19(13)17;21-20(22,23)14-6-8-15(9-7-14)27-18-11-17(25-12-26-18)16-5-1-3-13-4-2-10-24-19(13)16/h1-12H,(H,26,27);1-12H,(H,25,26,27) |
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| InChIKey | WDIHYOYZOXSYOX-UHFFFAOYSA-N |
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| XLogP | 10.91 |
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| TPSA | 101.40 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 54 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 732.69 |
| LogP ≤ 5 | 10.91 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 87964595) is 5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is FC(F)(F)c1ccc(Nc2cc(-c3cccc4cccnc34)cnn2)cc1.FC(F)(F)c1ccc(Nc2cc(-c3cccc4cccnc34)ncn2)cc1.
What is the InChIKey of 5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is WDIHYOYZOXSYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H13F3N4/c21-20(22,23)15-6-8-16(9-7-15)26-18-11-14(12-25-27-18)17-5-1-3-13-4-2-10-24-19(13)17;21-20(22,23)14-6-8-15(9-7-14)27-18-11-17(25-12-26-18)16-5-1-3-13-4-2-10-24-19(13)16/h1-12H,(H,26,27);1-12H,(H,25,26,27).
What are the key properties of 5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 732.69 g/mol, XLogP of 10.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyridazin-3-amine;6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 87964595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).