About [4-[(6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
[4-[(6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 90644451) has the molecular formula C26H22ClN3O3
and a molecular weight of 459.93 g/mol. Its IUPAC name is [4-[(6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone.
Molecular Properties
| Compound Name | [4-[(6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone |
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| PubChem CID | 90644451 |
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| Molecular Formula | C26H22ClN3O3 |
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| Molecular Weight | 459.93 g/mol |
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| Exact Mass | 459.13 |
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| IUPAC Name | [4-[(6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone |
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| SMILES | Cc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12 |
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| InChI | InChI=1S/C26H22ClN3O3/c1-16-15-32-24-13-20(27)25(12-18(16)24)33-23-8-9-28-14-19(23)26(31)30-11-10-29(17-6-7-17)21-4-2-3-5-22(21)30/h2-5,8-9,12-15,17H,6-7,10-11H2,1H3 |
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| InChIKey | GKWPRSMFTMKLCV-UHFFFAOYSA-N |
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| XLogP | 6.21 |
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| TPSA | 58.81 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 459.93 |
| LogP ≤ 5 | 6.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of [4-[(6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [4-[(6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 90644451) is [4-[(6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [4-[(6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [4-[(6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone is Cc1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12.
What is the InChIKey of [4-[(6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is GKWPRSMFTMKLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3/c1-16-15-32-24-13-20(27)25(12-18(16)24)33-23-8-9-28-14-19(23)26(31)30-11-10-29(17-6-7-17)21-4-2-3-5-22(21)30/h2-5,8-9,12-15,17H,6-7,10-11H2,1H3.
What are the key properties of [4-[(6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone?
[4-[(6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 459.93 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 90644451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).