3,8,9-Trimethoxybenzo[c]phenanthridin-2(5h)-one
Basic information
- CAS
52259-72-0- Standard SMILES
COc1cc2c[nH]c3c4cc(OC)c(=O)cc4ccc3c2cc1OC- InChIKey
BREOVVTTZDYZGR-UHFFFAOYSA-N- Molecular formula
- C20H17NO4
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.11575802
Names & identifiers
- Preferred name
- 3,8,9-Trimethoxybenzo[c]phenanthridin-2(5h)-one
- IUPAC
- 3,8,9-trimethoxy-5H-benzo[c]phenanthridin-2-one
Names & synonyms
N-Demethylfagaronine52259-72-0CHEMBL4846413,8,9-Trimethoxybenzo(c)phenanthridin-2-ol3,8,9-trimethoxybenzo[c]phenanthridin-2(5h)-one3,8,9-trimethoxybenzo[c]phenanthridin-2-olBenzo(c)phenanthridin-2-ol, 3,8,9-trimethoxy-DTXSID40966631BDBM50480300
Database identifiers
- CAS
52259-72-0- PubChem CID
- 72330
- DTXSID
DTXSID40966631- ChEMBL
CHEMBL484641
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 933
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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