Basic information
- CAS
113524-27-9- Standard SMILES
CN(C)CCN1C(=O)CC(c2ccccc2)=Nc2cccnc21- InChIKey
BNUGMVGXZOFRSH-UHFFFAOYSA-N- Molecular formula
- C18H20N4O
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.16371127
Names & identifiers
- Preferred name
- 4H-Pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-5-(2-(dimethylamino)ethyl)-2-phenyl-
- IUPAC
- 5-[2-(dimethylamino)ethyl]-2-phenyl-3H-pyrido[2,3-b][1,4]diazepin-4-one
Names & synonyms
4H-Pyrido(2,3-b)(1,4)diazepin-4-one, 3,5-dihydro-5-(2-(dimethylamino)ethyl)-2-phenyl-3,5-Dihydro-5-(2-(dimethylamino)ethyl)-2-phenyl-4H-pyrido(2,3-b)(1,4)diazepin-4-one113524-27-95-((Dimetilammino)etil)-2-fenil-3,5-diidro-4H-pirido(2,3-b)(1,4)diazepin-4-one [Italian]DTXSID501504485-((Dimetilammino)etil)-2-fenil-3,5-diidro-4H-pirido(2,3-b)(1,4)diazepin-4-oneRefChem:297800DTXCID50729395-[2-(Dimethylamino)ethyl]-2-phenyl-3,5-dihydro-4H-pyrido[2,3-b][1,4]diazepin-4-one
Database identifiers
- CAS
113524-27-9- PubChem CID
- 3087166
- DTXSID
DTXSID50150448- Nikkaji
- J384.823J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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