Graveoline
2-(1,3-benzodioxol-5-yl)-1-methylquinolin-4-one
Also Known As: Graveoline|Graveolin|Foliosine|Rutamine|2-(benzo[d][1,3]dioxol-5-yl)-1-methylquinolin-4(1H)-one|Prestwick_165|Prestwick0_000674|Prestwick1_000674|Prestwick2_000674|Prestwick3_000674|Graveoline (4-Chinolon)|Oprea1_746980|BSPBio_000767|SPBio_002688|2-(1,3-benzodioxol-5-yl)-1-methylquinolin-4-one|BPBio1_000845|KS-00000TWJ|Alkaloid from Ruta angustifolia plant|TN6705|ZB1720|NCGC00016465-01
CAS: 485-61-0
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.08954 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.08954 |
| Monoisotopic Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 485-61-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=O)C=C1C3=CC4=C(C=C3)OCO4 |
| InChIKey | COBBNRKBTCBWQP-UHFFFAOYSA-N |
Product Overview
Graveoline (CAS 485-61-0), with molecular formula C17H13NO3 and molecular weight 279.08954 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-1-methylquinolin-4-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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