N11-Ethyl-2,3,N5-trimethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
Basic information
- CAS
133627-27-7- Standard SMILES
CCN1c2ncccc2C(=O)N(C)c2cc(C)c(C)nc21- InChIKey
BEDHGLWDRNTRSG-UHFFFAOYSA-N- Molecular formula
- C16H18N4O
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.14806121
Names & identifiers
- Preferred name
- N11-Ethyl-2,3,N5-trimethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
- IUPAC
- 2-ethyl-5,6,9-trimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Names & synonyms
133627-27-7N11-Ethyl-2,3,N5-trimethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-oneN11-Ethyl-2,3,N5-trimethyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneCHEMBL70850BDBM1669SCHEMBL8301122Dipyridodiazepinone deriv. 105DTXSID7015826411-ethyl-2,3,5-trimethyl-dipyrido[[?],[?]][1,4]diazepin-6-one11-Ethyl-2,3,5-trimethyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one2-ethyl-5,6,9-trimethyl-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
133627-27-7- PubChem CID
- 453341
- DTXSID
DTXSID70158264- ChEMBL
CHEMBL70850- Nikkaji
- J420.610J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
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Compound notes
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