About propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate (PubChem CID 156705090) has the molecular formula C29H27N3O5
and a molecular weight of 497.55 g/mol. Its IUPAC name is propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate.
Molecular Properties
| Compound Name | propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate |
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| PubChem CID | 156705090 |
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| Molecular Formula | C29H27N3O5 |
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| Molecular Weight | 497.55 g/mol |
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| Exact Mass | 497.20 |
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| IUPAC Name | propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate |
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| SMILES | CCCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12 |
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| InChI | InChI=1S/C29H27N3O5/c1-2-15-35-29(34)23-18-36-26-10-9-20(16-21(23)26)37-27-11-12-30-17-22(27)28(33)32-14-13-31(19-7-8-19)24-5-3-4-6-25(24)32/h3-6,9-12,16-19H,2,7-8,13-15H2,1H3 |
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| InChIKey | FIGCAHBOQZJJFZ-UHFFFAOYSA-N |
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| XLogP | 5.82 |
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| TPSA | 85.11 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 497.55 |
| LogP ≤ 5 | 5.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
The IUPAC name of propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate (CID 156705090) is propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate.
What is the SMILES notation for propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
The canonical SMILES for propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate is CCCOC(=O)c1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12.
What is the InChIKey of propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
The InChIKey is FIGCAHBOQZJJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O5/c1-2-15-35-29(34)23-18-36-26-10-9-20(16-21(23)26)37-27-11-12-30-17-22(27)28(33)32-14-13-31(19-7-8-19)24-5-3-4-6-25(24)32/h3-6,9-12,16-19H,2,7-8,13-15H2,1H3.
What are the key properties of propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate?
propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate has a molecular weight of 497.55 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate is sourced from PubChem (CID 156705090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).