About 1-methylquinolin-1-ium iodide
1-methylquinolin-1-ium iodide (PubChem CID 19848) has the molecular formula C10H10IN
and a molecular weight of 271.10 g/mol. Its IUPAC name is 1-methylquinolin-1-ium iodide.
Molecular Properties
| Compound Name | 1-methylquinolin-1-ium iodide |
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| PubChem CID | 19848 |
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| Molecular Formula | C10H10IN |
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| Molecular Weight | 271.10 g/mol |
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| Exact Mass | 270.99 |
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| IUPAC Name | 1-methylquinolin-1-ium iodide |
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| SMILES | C[n+]1cccc2ccccc21.[I-] |
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| InChI | InChI=1S/C10H10N.HI/c1-11-8-4-6-9-5-2-3-7-10(9)11;/h2-8H,1H3;1H/q+1;/p-1 |
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| InChIKey | PNYRDWUKTXFTPN-UHFFFAOYSA-M |
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| XLogP | -1.33 |
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| TPSA | 3.88 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 12 |
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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 | 271.10 |
| LogP ≤ 5 | -1.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-methylquinolin-1-ium iodide?
The IUPAC name of 1-methylquinolin-1-ium iodide (CID 19848) is 1-methylquinolin-1-ium iodide.
What is the SMILES notation for 1-methylquinolin-1-ium iodide?
The canonical SMILES for 1-methylquinolin-1-ium iodide is C[n+]1cccc2ccccc21.[I-].
What is the InChIKey of 1-methylquinolin-1-ium iodide?
The InChIKey is PNYRDWUKTXFTPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N.HI/c1-11-8-4-6-9-5-2-3-7-10(9)11;/h2-8H,1H3;1H/q+1;/p-1.
What are the key properties of 1-methylquinolin-1-ium iodide?
1-methylquinolin-1-ium iodide has a molecular weight of 271.10 g/mol, XLogP of -1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylquinolin-1-ium iodide is sourced from PubChem (CID 19848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).