About 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide
3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide (PubChem CID 171350090) has the molecular formula C18H16N2O3
and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide.
Molecular Properties
| Compound Name | 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide |
| PubChem CID | 171350090 |
| Molecular Formula | C18H16N2O3 |
| Molecular Weight | 308.34 g/mol |
| Exact Mass | 308.12 |
| IUPAC Name | 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide |
| SMILES | CNC(=O)c1cc(OC)cc(Oc2ccnc3ccccc23)c1 |
| InChI | InChI=1S/C18H16N2O3/c1-19-18(21)12-9-13(22-2)11-14(10-12)23-17-7-8-20-16-6-4-3-5-15(16)17/h3-11H,1-2H3,(H,19,21) |
| InChIKey | HPEDLJVLXDQLQO-UHFFFAOYSA-N |
| XLogP | 3.40 |
| TPSA | 60.45 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 308.34 |
| LogP ≤ 5 | 3.40 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide?
The IUPAC name of 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide (CID 171350090) is 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide is CNC(=O)c1cc(OC)cc(Oc2ccnc3ccccc23)c1.
What is the InChIKey of 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide?
The InChIKey is HPEDLJVLXDQLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-19-18(21)12-9-13(22-2)11-14(10-12)23-17-7-8-20-16-6-4-3-5-15(16)17/h3-11H,1-2H3,(H,19,21).
What are the key properties of 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide?
3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide has a molecular weight of 308.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide is sourced from PubChem (CID 171350090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).