4-Ethyl-12-methoxy-3,4-dihydro-2H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridine
Basic information
- Standard SMILES
CCN1CCN=c2c3cc(OC)ccc3n3cnc4ccc1c2c43- InChIKey
RRXXWKSYGYUDSY-UHFFFAOYSA-N- Molecular formula
- C19H18N4O
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.14806121
Names & identifiers
- Preferred name
- 4-Ethyl-12-methoxy-3,4-dihydro-2H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridine
- IUPAC
- 15-ethyl-4-methoxy-8,10,15,18-tetrazapentacyclo[9.7.2.02,7.08,20.014,19]icosa-1(18),2(7),3,5,9,11(20),12,14(19)-octaene
Names & synonyms
NSC6583574-Ethyl-12-methoxy-3,4-dihydro-2H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridineCHEMBL1965296NSC-658357NCI60_0204864-Ethyl-3,4-dihydro-2H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-12-yl methyl ether
Database identifiers
- PubChem CID
- 377155
- ChEMBL
CHEMBL1965296
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…