About 1-methoxy-3,4-dihydroisoquinoline
1-methoxy-3,4-dihydroisoquinoline (PubChem CID 55277355) has the molecular formula C10H11NO
and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-methoxy-3,4-dihydroisoquinoline.
Molecular Properties
| Compound Name | 1-methoxy-3,4-dihydroisoquinoline |
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| PubChem CID | 55277355 |
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| Molecular Formula | C10H11NO |
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| Molecular Weight | 161.20 g/mol |
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| Exact Mass | 161.08 |
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| IUPAC Name | 1-methoxy-3,4-dihydroisoquinoline |
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| SMILES | COC1=NCCc2ccccc21 |
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| InChI | InChI=1S/C10H11NO/c1-12-10-9-5-3-2-4-8(9)6-7-11-10/h2-5H,6-7H2,1H3 |
|---|
| InChIKey | SQEPZQFOYGZCJQ-UHFFFAOYSA-N |
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| XLogP | 1.64 |
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| TPSA | 21.59 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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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 |
|---|
| MW ≤ 500 | 161.20 |
| LogP ≤ 5 | 1.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-methoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-methoxy-3,4-dihydroisoquinoline (CID 55277355) is 1-methoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-methoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-methoxy-3,4-dihydroisoquinoline is COC1=NCCc2ccccc21.
What is the InChIKey of 1-methoxy-3,4-dihydroisoquinoline?
The InChIKey is SQEPZQFOYGZCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-12-10-9-5-3-2-4-8(9)6-7-11-10/h2-5H,6-7H2,1H3.
What are the key properties of 1-methoxy-3,4-dihydroisoquinoline?
1-methoxy-3,4-dihydroisoquinoline has a molecular weight of 161.20 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 55277355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).