4,5-Dimethoxy-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaen-8-one
Basic information
- CAS
65367-76-2- Standard SMILES
COc1cc2c(=O)n3c4c(cccc4c2cc1OC)CCC3- InChIKey
DPDRCOHTODECTH-UHFFFAOYSA-N- Molecular formula
- C18H17NO3
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 295.1208434
Names & identifiers
- Preferred name
- 4,5-Dimethoxy-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaen-8-one
- IUPAC
- 4,5-dimethoxy-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaen-8-one
Names & synonyms
NSC27381665367-76-2DTXSID60313643NSC-27381610,11-Dimethoxy-5,6-dihydro-4H,8H-pyrido[3,2,1-de]phenanthridin-8-one
Database identifiers
- CAS
65367-76-2- PubChem CID
- 321595
- DTXSID
DTXSID60313643- Nikkaji
- J3.251.689K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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