7-Cyano-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
Basic information
- CAS
140413-28-1- Standard SMILES
Cc1cc(C#N)c2c(c1)Oc1ncccc1C(=O)N2C- InChIKey
WVVQRRCTXQZQNC-UHFFFAOYSA-N- Molecular formula
- C15H11N3O2
- Average molar mass
- 265.27 g/mol
- Monoisotopic mass
- 265.0851266
Names & identifiers
- Preferred name
- 7-Cyano-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
- IUPAC
- 6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carbonitrile
Names & synonyms
7CN-6,9-diMe-PBOA-5one140413-28-17-Cyano-6,9-dimethyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one7-Cyano-6,9-dimethyl-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-onePyridobenzoxazepinone 77CHEMBL56052BDBM2009DTXSID501613776,9-dimethyl-5-oxo-pyrido[2,3-b][1,5]benzoxazepine-7-carbonitrile6,9-Dimethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzoxazepine-7-carbonitrile10,14-dimethyl-9-oxo-2-oxa-4,10-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaene-12-carbonitrile
Database identifiers
- CAS
140413-28-1- PubChem CID
- 453985
- DTXSID
DTXSID50161377- ChEMBL
CHEMBL56052- Nikkaji
- J474.990A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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