Basic information
- Standard SMILES
CCN1c2ncccc2C(=O)N(C)c2ccc(OC)nc21- InChIKey
BERPEAVNCCSEPP-UHFFFAOYSA-N- Molecular formula
- C15H16N4O2
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.12732577
Names & identifiers
- Preferred name
- Dipyridodiazepinone deriv. 36
- IUPAC
- 2-ethyl-5-methoxy-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Names & synonyms
Dipyridodiazepinone deriv. 36BDBM1547CHEMBL145397SCHEMBL8300415BERPEAVNCCSEPP-UHFFFAOYSA-N11-ethyl-2-methoxy-5-methyl-dipyrido[[?],[?]][1,4]diazepin-6-one5,11-dihydro-11-ethyl-2-methoxy-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one5,11-dihydro-11-ethyl-2-methoxy-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5,11-Dihydro-11-ethyl-5-methyl-2-methoxy-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one2-ethyl-5-methoxy-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Database identifiers
- PubChem CID
- 463556
- ChEMBL
CHEMBL145397
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Related reactions
6 records
Compound notes
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