4,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
Basic information
- CAS
133627-21-1- Standard SMILES
CCc1ccnc2c1NC(=O)c1cccnc1N2CC- InChIKey
GNKSGLUNPBLOCF-UHFFFAOYSA-N- Molecular formula
- C15H16N4O
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.13241115
Names & identifiers
- Preferred name
- 4,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
- IUPAC
- 2,7-diethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Names & synonyms
133627-21-14,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one4,N11-Diethyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneCHEMBL73672Dipyridodiazepinone deriv. 99BDBM1667SCHEMBL9705880DTXSID601582584,11-diethyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one4,11-Diethyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one2,7-diethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Database identifiers
- CAS
133627-21-1- PubChem CID
- 453335
- DTXSID
DTXSID60158258- ChEMBL
CHEMBL73672- Nikkaji
- J420.604E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
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Compound notes
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