N11-Cyclopropyl-N5-((N,N-dimethylamino)ethyl)-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
Basic information
- CAS
133627-35-7- Standard SMILES
CN(C)CCN1C(=O)c2cccnc2N(C2CC2)c2ncccc21- InChIKey
BSEQOYYUIYKPFF-UHFFFAOYSA-N- Molecular formula
- C18H21N5O
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.17461031
Names & identifiers
- Preferred name
- N11-Cyclopropyl-N5-((N,N-dimethylamino)ethyl)-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
- IUPAC
- 2-cyclopropyl-9-[2-(dimethylamino)ethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Names & synonyms
133627-35-7N11-Cyclopropyl-N5-((N,N-dimethylamino)ethyl)-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-oneN11-Cyclopropyl-N5-[(N,N-dimethylamino)ethyl]-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneCHEMBL302034DTXSID8015827011-cyclopropyl-5-(2-dimethylaminoethyl)dipyrido[[?],[?]][1,4]diazepin-6-one11-Cyclopropyl-5-[2-(dimethylamino)ethyl]-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Database identifiers
- CAS
133627-35-7- PubChem CID
- 453349
- DTXSID
DTXSID80158270- ChEMBL
CHEMBL302034- Nikkaji
- J420.618E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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