N11-Ethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
Basic information
- CAS
132686-96-5- Standard SMILES
CCN1c2ccccc2NC(=O)c2cccnc21- InChIKey
CRAIICFGDIPWGD-UHFFFAOYSA-N- Molecular formula
- C14H13N3O
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.10586205
Names & identifiers
- Preferred name
- N11-Ethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
- IUPAC
- 11-ethyl-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
Names & synonyms
132686-96-5N11-Ethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneN11-Ethyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-onePyridobenzodiazepinone deriv. 311-ethyl-6H-pyrido[3,2-c][1,5]benzodiazepin-5-oneCHEMBL73845BDBM1632SCHEMBL8790717DTXSID40157704CRAIICFGDIPWGD-UHFFFAOYSA-N6,11-dihydro-11-ethyl-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one11-Ethyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one
Show more names
2-ethyl-2,4,10-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-one
Database identifiers
- CAS
132686-96-5- PubChem CID
- 453243
- DTXSID
DTXSID40157704- ChEMBL
CHEMBL73845- Nikkaji
- J420.514F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
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Related reactions
2 records
Compound notes
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