About 6-(3-methoxyphenoxy)quinolin-5-amine
6-(3-methoxyphenoxy)quinolin-5-amine (PubChem CID 43809791) has the molecular formula C16H14N2O2
and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-(3-methoxyphenoxy)quinolin-5-amine.
Molecular Properties
| Compound Name | 6-(3-methoxyphenoxy)quinolin-5-amine |
| PubChem CID | 43809791 |
| Molecular Formula | C16H14N2O2 |
| Molecular Weight | 266.30 g/mol |
| Exact Mass | 266.11 |
| IUPAC Name | 6-(3-methoxyphenoxy)quinolin-5-amine |
| SMILES | COc1cccc(Oc2ccc3ncccc3c2N)c1 |
| InChI | InChI=1S/C16H14N2O2/c1-19-11-4-2-5-12(10-11)20-15-8-7-14-13(16(15)17)6-3-9-18-14/h2-10H,17H2,1H3 |
| InChIKey | CBIXFJMADCXKSZ-UHFFFAOYSA-N |
| XLogP | 3.62 |
| TPSA | 57.37 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 266.30 |
| LogP ≤ 5 | 3.62 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-(3-methoxyphenoxy)quinolin-5-amine?
The IUPAC name of 6-(3-methoxyphenoxy)quinolin-5-amine (CID 43809791) is 6-(3-methoxyphenoxy)quinolin-5-amine.
What is the SMILES notation for 6-(3-methoxyphenoxy)quinolin-5-amine?
The canonical SMILES for 6-(3-methoxyphenoxy)quinolin-5-amine is COc1cccc(Oc2ccc3ncccc3c2N)c1.
What is the InChIKey of 6-(3-methoxyphenoxy)quinolin-5-amine?
The InChIKey is CBIXFJMADCXKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-19-11-4-2-5-12(10-11)20-15-8-7-14-13(16(15)17)6-3-9-18-14/h2-10H,17H2,1H3.
What are the key properties of 6-(3-methoxyphenoxy)quinolin-5-amine?
6-(3-methoxyphenoxy)quinolin-5-amine has a molecular weight of 266.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenoxy)quinolin-5-amine is sourced from PubChem (CID 43809791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).