N11-Ethyl-7-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
Basic information
- CAS
133627-30-2- Standard SMILES
CCN1c2ncccc2NC(=O)c2c(C)ccnc21- InChIKey
YRRUDLPBDDJXGV-UHFFFAOYSA-N- Molecular formula
- C14H14N4O
- Average molar mass
- 254.29 g/mol
- Monoisotopic mass
- 254.11676108
Names & identifiers
- Preferred name
- N11-Ethyl-7-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
- IUPAC
- 2-ethyl-12-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
Names & synonyms
133627-30-2N11-Ethyl-7-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-oneN11-Ethyl-7-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneCHEMBL70401SCHEMBL9704205DTXSID5015826711-ethyl-7-methyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one11-Ethyl-7-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Database identifiers
- CAS
133627-30-2- PubChem CID
- 453344
- DTXSID
DTXSID50158267- ChEMBL
CHEMBL70401- Nikkaji
- J420.613D
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
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…