3-Amino-6-ethyl-8,9-dimethyl-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
Basic information
- CAS
140413-21-4- Standard SMILES
CCN1C(=O)c2cc(N)cnc2Oc2cc(C)c(C)cc21- InChIKey
LQQHADUYCCSZCE-UHFFFAOYSA-N- Molecular formula
- C16H17N3O2
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.13207679
Names & identifiers
- Preferred name
- 3-Amino-6-ethyl-8,9-dimethyl-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one
- IUPAC
- 3-amino-6-ethyl-8,9-dimethylpyrido[2,3-b][1,5]benzoxazepin-5-one
Names & synonyms
140413-21-43Am-6Et-8,9diMe-PBOA-5one3-Amino-6-ethyl-8,9-dimethyl-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one3-Amino-6-ethyl-8,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-onePyridobenzoxazepinone 68BDBM2000CHEMBL293332DTXSID209308103-Amino-6-ethyl-8,9-dimethylpyrido[2,3-b][1,5]benzoxazepin-5(6H)-one3-amino-6-ethyl-8,9-dimethyl-pyrido[2,3-b][1,5]benzoxazepin-5-one6-amino-10-ethyl-13,14-dimethyl-2-oxa-4,10-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
Database identifiers
- CAS
140413-21-4- PubChem CID
- 453976
- DTXSID
DTXSID20930810- ChEMBL
CHEMBL293332- Nikkaji
- J474.983I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…