About 3-[4-(7-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione
3-[4-(7-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 165167374) has the molecular formula C28H23F3N4O4
and a molecular weight of 536.51 g/mol. Its IUPAC name is 3-[4-(7-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.
Molecular Properties
| Compound Name | 3-[4-(7-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione |
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| PubChem CID | 165167374 |
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| Molecular Formula | C28H23F3N4O4 |
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| Molecular Weight | 536.51 g/mol |
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| Exact Mass | 536.17 |
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| IUPAC Name | 3-[4-(7-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione |
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| SMILES | COc1ccc2c(Oc3ccc(N4C(=O)CN(c5cncc(C(F)(F)F)c5)C4=O)cc3C(C)C)ccnc2c1 |
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| InChI | InChI=1S/C28H23F3N4O4/c1-16(2)22-11-18(4-7-24(22)39-25-8-9-33-23-12-20(38-3)5-6-21(23)25)35-26(36)15-34(27(35)37)19-10-17(13-32-14-19)28(29,30)31/h4-14,16H,15H2,1-3H3 |
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| InChIKey | MYSCYTBHQZDROH-UHFFFAOYSA-N |
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| XLogP | 6.55 |
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| TPSA | 84.86 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 536.51 |
| LogP ≤ 5 | 6.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-[4-(7-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-(7-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione (CID 165167374) is 3-[4-(7-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(7-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(7-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is COc1ccc2c(Oc3ccc(N4C(=O)CN(c5cncc(C(F)(F)F)c5)C4=O)cc3C(C)C)ccnc2c1.
What is the InChIKey of 3-[4-(7-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
The InChIKey is MYSCYTBHQZDROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O4/c1-16(2)22-11-18(4-7-24(22)39-25-8-9-33-23-12-20(38-3)5-6-21(23)25)35-26(36)15-34(27(35)37)19-10-17(13-32-14-19)28(29,30)31/h4-14,16H,15H2,1-3H3.
What are the key properties of 3-[4-(7-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione?
3-[4-(7-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 536.51 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(7-methoxyquinolin-4-yl)oxy-3-propan-2-ylphenyl]-1-[5-(trifluoromethyl)-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 165167374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).