Basic information
- Standard SMILES
CCN1c2ncccc2C(=O)Nc2c(C)cc(NCCO)nc21- InChIKey
NLDQVMDBRMGUMI-UHFFFAOYSA-N- Molecular formula
- C16H19N5O2
- Average molar mass
- 313.35 g/mol
Names & identifiers
- Preferred name
- Dipyridodiazepinone deriv. 23
- IUPAC
- 2-ethyl-5-(2-hydroxyethylamino)-7-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
Dipyridodiazepinone deriv. 23BDBM1536CHEMBL341847SCHEMBL8888996NLDQVMDBRMGUMI-UHFFFAOYSA-N11-ethyl-2-(2-hydroxyethylamino)-4-methyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one11-Ethyl-2-[(2-hydroxyethyl)amino]-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one2-ethyl-5-[(2-hydroxyethyl)amino]-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one5,11-Dihydro-11-ethyl-2-(2-hydroxyethyl)amino-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Database identifiers
- PubChem CID
- 463150
- ChEMBL
CHEMBL341847
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 421
Related reactions
1 records
Compound notes
Loading…