About cyclopentyl 4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
cyclopentyl 4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 67265054) has the molecular formula C38H43N3O8
and a molecular weight of 669.78 g/mol. Its IUPAC name is cyclopentyl 4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
Molecular Properties
| Compound Name | cyclopentyl 4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate |
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| PubChem CID | 67265054 |
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| Molecular Formula | C38H43N3O8 |
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| Molecular Weight | 669.78 g/mol |
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| Exact Mass | 669.31 |
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| IUPAC Name | cyclopentyl 4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate |
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| SMILES | COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCC(C)C(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1 |
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| InChI | InChI=1S/C38H43N3O8/c1-24(34(41-37(44)49-38(2,3)4)36(43)48-27-13-9-10-14-27)23-46-33-22-30-29(21-32(33)45-5)31(19-20-39-30)47-28-17-15-26(16-18-28)40-35(42)25-11-7-6-8-12-25/h6-8,11-12,15-22,24,27,34H,9-10,13-14,23H2,1-5H3,(H,40,42)(H,41,44) |
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| InChIKey | FWNPQBFNXIVVKW-UHFFFAOYSA-N |
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| XLogP | 7.68 |
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| TPSA | 134.31 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 49 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 669.78 |
| LogP ≤ 5 | 7.68 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
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Frequently Asked Questions
What is the IUPAC name of cyclopentyl 4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of cyclopentyl 4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 67265054) is cyclopentyl 4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for cyclopentyl 4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for cyclopentyl 4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCC(C)C(NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is FWNPQBFNXIVVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N3O8/c1-24(34(41-37(44)49-38(2,3)4)36(43)48-27-13-9-10-14-27)23-46-33-22-30-29(21-32(33)45-5)31(19-20-39-30)47-28-17-15-26(16-18-28)40-35(42)25-11-7-6-8-12-25/h6-8,11-12,15-22,24,27,34H,9-10,13-14,23H2,1-5H3,(H,40,42)(H,41,44).
What are the key properties of cyclopentyl 4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
cyclopentyl 4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 669.78 g/mol, XLogP of 7.68, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 67265054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).