3-Chloro-N11-ethyl-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
Basic information
- CAS
133627-14-2- Standard SMILES
CCN1c2ncccc2C(=O)N(C)c2cc(Cl)cnc21- InChIKey
MDOUOYXTNAKLPW-UHFFFAOYSA-N- Molecular formula
- C14H13ClN4O
- Average molar mass
- 288.73 g/mol
- Monoisotopic mass
- 288.0777887
Names & identifiers
- Preferred name
- 3-Chloro-N11-ethyl-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
- IUPAC
- 6-chloro-2-ethyl-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
133627-14-23-Chloro-N11-ethyl-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-oneCHEMBL2890723-Chloro-N11-ethyl-N5-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneDTXSID40158251BDBM500957763-chloro-11-ethyl-5-methyl-dipyrido[[?],[?]][1,4]diazepin-6-one3-Chloro-11-ethyl-5-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one8-Chloro-5-ethyl-10-methyl-5,10-dihydro-4,5,6,10-tetraaza-dibenzo[a,d]cyclohepten-11-one
Database identifiers
- CAS
133627-14-2- PubChem CID
- 453328
- DTXSID
DTXSID40158251- ChEMBL
CHEMBL289072- Nikkaji
- J420.596K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
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Related reactions
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Compound notes
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