Basic information
- Standard SMILES
CCN1c2ncc(CCc3ccncc3)cc2C(=O)N(C)c2ccc(Cl)nc21- InChIKey
JISVFSBNJCUDHU-UHFFFAOYSA-N- Molecular formula
- C21H20ClN5O
- Average molar mass
- 393.9 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
- IUPAC
- 5-chloro-2-ethyl-9-methyl-13-(2-pyridin-4-ylethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Names & synonyms
BDBM2021CHEMBL321544SCHEMBL6958487JISVFSBNJCUDHU-UHFFFAOYSA-N2,8-Substituted Dipyridodiazepinone 372,8-disubstituted dipyridodiazepinone II2-chloro-11-ethyl-5-methyl-8-[2-(4-pyridyl)ethyl]dipyrido[[?],[?]][1,4]diazepin-6-one2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-(2-(pyridin-4-yl)ethyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one2-Chloro-5,11-dihydro-11-ethyl-8-[2-(4-pyridyl)ethyl]-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5-chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-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
- 470666
- ChEMBL
CHEMBL321544- Nikkaji
- J992.939H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 543
Related reactions
6 records
Compound notes
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