7-Amino-6-ethyl-9-methyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
Basic information
- CAS
140413-26-9- Standard SMILES
CCN1C(=O)c2cccnc2Oc2cc(C)cc(N)c21- InChIKey
IKITZJALQKJYEJ-UHFFFAOYSA-N- Molecular formula
- C15H15N3O2
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 269.11642673
Names & identifiers
- Preferred name
- 7-Amino-6-ethyl-9-methyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
- IUPAC
- 7-amino-6-ethyl-9-methylpyrido[2,3-b][1,5]benzoxazepin-5-one
Names & synonyms
7Am-6Et-9Me-PBOA-5one140413-26-97-Amino-6-ethyl-9-methyl-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one7-Amino-6-ethyl-9-methyl-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-onePyridobenzoxazepinone 75BDBM2007CHEMBL299495DTXSID301613757-Amino-6-ethyl-9-methylpyrido[2,3-b][1,5]benzoxazepin-5(6H)-one7-amino-6-ethyl-9-methyl-pyrido[2,3-b][1,5]benzoxazepin-5-one12-amino-10-ethyl-14-methyl-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
140413-26-9- PubChem CID
- 453983
- DTXSID
DTXSID30161375- ChEMBL
CHEMBL299495- Nikkaji
- J474.988J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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