N11-Ethyl-8-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
Basic information
- CAS
133627-31-3- Standard SMILES
CCN1c2ncccc2NC(=O)c2cc(C)cnc21- InChIKey
CRZMHAWMAAZBBW-UHFFFAOYSA-N- Molecular formula
- C14H14N4O
- Average molar mass
- 254.29 g/mol
- Monoisotopic mass
- 254.11676108
Names & identifiers
- Preferred name
- N11-Ethyl-8-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
- IUPAC
- 2-ethyl-13-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
133627-31-3N11-Ethyl-8-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-oneN11-Ethyl-8-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneCHEMBL73468SCHEMBL9705868DTXSID1015826811-ethyl-8-methyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one11-Ethyl-8-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Database identifiers
- CAS
133627-31-3- PubChem CID
- 453345
- DTXSID
DTXSID10158268- ChEMBL
CHEMBL73468- Nikkaji
- J420.614B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
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Related reactions
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Compound notes
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