6-methoxy-1,9-dimethyl-9H-pyrido[3,4-b]indole
Basic information
- CAS
22574-29-4- Standard SMILES
COc1ccc2c(c1)c1ccnc(C)c1n2C- InChIKey
AJSYZGYPCGTQSU-UHFFFAOYSA-N- Molecular formula
- C14H14N2O
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.11061307
Names & identifiers
- Preferred name
- 6-methoxy-1,9-dimethyl-9H-pyrido[3,4-b]indole
- IUPAC
- 6-methoxy-1,9-dimethylpyrido[3,4-b]indole
Names & synonyms
6-methoxy-1,9-dimethyl-9H-pyrido[3,4-b]indole1II66H6AHR22574-29-4UNII-1II66H6AHRCHEMBL3750776-Methoxy-1,9-dimethyl-pyrido(3,4-b)indole9H-Pyrido(3,4-b)indole, 6-methoxy-1,9-dimethyl-SCHEMBL20159056BDBM50194445PD182958DB-350541
Database identifiers
- CAS
22574-29-4- PubChem CID
- 211174
- ChEMBL
CHEMBL375077- UNII
- 1II66H6AHR
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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