About (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(quinolin-3-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione
(5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(quinolin-3-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 67580022) has the molecular formula C28H21FN4O4
and a molecular weight of 496.50 g/mol. Its IUPAC name is (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(quinolin-3-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione.
Molecular Properties
| Compound Name | (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(quinolin-3-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione |
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| PubChem CID | 67580022 |
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| Molecular Formula | C28H21FN4O4 |
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| Molecular Weight | 496.50 g/mol |
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| Exact Mass | 496.15 |
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| IUPAC Name | (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(quinolin-3-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione |
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| SMILES | O=C1NC(=O)[C@](CN2Cc3ccc(OCc4cnc5ccccc5c4)cc3C2=O)(c2ccc(F)cc2)N1 |
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| InChI | InChI=1S/C28H21FN4O4/c29-21-8-6-20(7-9-21)28(26(35)31-27(36)32-28)16-33-14-19-5-10-22(12-23(19)25(33)34)37-15-17-11-18-3-1-2-4-24(18)30-13-17/h1-13H,14-16H2,(H2,31,32,35,36)/t28-/m0/s1 |
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| InChIKey | ISIIOCZAIBNEST-NDEPHWFRSA-N |
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| XLogP | 3.64 |
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| TPSA | 100.63 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 496.50 |
| LogP ≤ 5 | 3.64 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(quinolin-3-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(quinolin-3-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione (CID 67580022) is (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(quinolin-3-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(quinolin-3-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(quinolin-3-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](CN2Cc3ccc(OCc4cnc5ccccc5c4)cc3C2=O)(c2ccc(F)cc2)N1.
What is the InChIKey of (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(quinolin-3-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is ISIIOCZAIBNEST-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H21FN4O4/c29-21-8-6-20(7-9-21)28(26(35)31-27(36)32-28)16-33-14-19-5-10-22(12-23(19)25(33)34)37-15-17-11-18-3-1-2-4-24(18)30-13-17/h1-13H,14-16H2,(H2,31,32,35,36)/t28-/m0/s1.
What are the key properties of (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(quinolin-3-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione?
(5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(quinolin-3-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 496.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-fluorophenyl)-5-[[3-oxo-5-(quinolin-3-ylmethoxy)-1H-isoindol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 67580022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).