About (2R)-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]acetamide
(2R)-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]acetamide (PubChem CID 129011278) has the molecular formula C19H21N3O4
and a molecular weight of 355.39 g/mol. Its IUPAC name is (2R)-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]acetamide.
Molecular Properties
| Compound Name | (2R)-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]acetamide |
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| PubChem CID | 129011278 |
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| Molecular Formula | C19H21N3O4 |
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| Molecular Weight | 355.39 g/mol |
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| Exact Mass | 355.15 |
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| IUPAC Name | (2R)-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]acetamide |
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| SMILES | C#Cc1cnc2ccc(O[C@@H](OC)C(=O)NC(C)(C)/C=N/OC)cc2c1 |
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| InChI | InChI=1S/C19H21N3O4/c1-6-13-9-14-10-15(7-8-16(14)20-11-13)26-18(24-4)17(23)22-19(2,3)12-21-25-5/h1,7-12,18H,2-5H3,(H,22,23)/b21-12+/t18-/m1/s1 |
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| InChIKey | PCSOIAVOYXKQKF-AGKWGAAGSA-N |
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| XLogP | 2.09 |
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| TPSA | 82.04 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 26 |
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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 | 355.39 |
| LogP ≤ 5 | 2.09 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (2R)-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]acetamide?
The IUPAC name of (2R)-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]acetamide (CID 129011278) is (2R)-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]acetamide.
What is the SMILES notation for (2R)-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]acetamide?
The canonical SMILES for (2R)-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]acetamide is C#Cc1cnc2ccc(O[C@@H](OC)C(=O)NC(C)(C)/C=N/OC)cc2c1.
What is the InChIKey of (2R)-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]acetamide?
The InChIKey is PCSOIAVOYXKQKF-AGKWGAAGSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-6-13-9-14-10-15(7-8-16(14)20-11-13)26-18(24-4)17(23)22-19(2,3)12-21-25-5/h1,7-12,18H,2-5H3,(H,22,23)/b21-12+/t18-/m1/s1.
What are the key properties of (2R)-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]acetamide?
(2R)-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]acetamide has a molecular weight of 355.39 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-N-[(1E)-1-methoxyimino-2-methylpropan-2-yl]acetamide is sourced from PubChem (CID 129011278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).