Basic information
- CAS
111380-29-1- Standard SMILES
Cc1cnc(NCCCN(C)C)c2c3cc(O)ccc3n(C)c12- InChIKey
DXPDESOAWCQETH-UHFFFAOYSA-N- Molecular formula
- C18H24N4O
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.1950114
Names & identifiers
- Preferred name
- 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4,5-dimethyl-
- IUPAC
- 1-[3-(dimethylamino)propylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol
Names & synonyms
5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4,5-dimethyl-111380-29-11-((3-(Dimethylamino)propyl)amino)-4,5-dimethyl-5H-pyrido(4,3-b)indol-8-ol1-{[3-(dimethylamino)propyl]amino}-4,5-dimethyl-5H-pyrido[4,3-b]indol-8-olCHEMBL418615SCHEMBL10374355DTXSID60149621
Database identifiers
- CAS
111380-29-1- PubChem CID
- 183285
- DTXSID
DTXSID60149621- ChEMBL
CHEMBL418615
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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