Lepidine
CNP0138798.0 · C10H9N · View on COCONUT ↗
Identifiers
| Name | Lepidine |
|---|
| IUPAC Name | 4-methylquinoline |
|---|
| COCONUT ID | CNP0138798.0 |
|---|
| CAS | 491-35-0 |
|---|
| InChIKey | MUDSDYNRBDKLGK-UHFFFAOYSA-N |
|---|
| InChI | InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3 |
|---|
| SMILES | CC1=CC=NC2=CC=CC=C12 |
|---|
Properties
| Molecular Formula | C10H9N |
|---|
| Molecular Weight | 143.19 |
|---|
| Exact Mass | 143.07350 |
|---|
| Log P (ALogP) | 2.54 |
|---|
| TPSA | 12.89 |
|---|
| H-Bond Donors / Acceptors | 0 / 1 |
|---|
| Rotatable Bonds | 0 |
|---|
| Lipinski's Rule of 5 Violations | 0 |
|---|
| QED Drug-likeness | 0.55 |
|---|
| NP-likeness | -0.64 |
|---|
Classification
| NP Pathway | Alkaloids |
|---|
| NP Superclass | Tryptophan alkaloids |
|---|
| NP Class | Pyridine alkaloids |
|---|
| Chemical Superclass | Organoheterocyclic compounds |
|---|
| Chemical Class | Quinolines and derivatives |
|---|
| Chemical Subclass | Quinolines and derivatives |
|---|
Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
