Basic information
- Standard SMILES
CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc[nH]3)nc21- InChIKey
IPVNHELRRJRWDT-UHFFFAOYSA-N- Molecular formula
- C18H17N5O
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.14331018
Names & identifiers
- Preferred name
- Dipyridodiazepinone deriv. 41
- IUPAC
- 2-ethyl-9-methyl-5-(1H-pyrrol-2-yl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Names & synonyms
5,11-Dihydro-11-ethyl-5-methyl-2-(2-pyrrolyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneDipyridodiazepinone deriv. 41BDBM1552CHEMBL357221SCHEMBL8545648IPVNHELRRJRWDT-UHFFFAOYSA-N11-ethyl-5-methyl-2-(1H-pyrrol-2-yl)dipyrido[[?],[?]][1,4]diazepin-6-one2-ethyl-9-methyl-5-(1H-pyrrol-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Database identifiers
- PubChem CID
- 463561
- ChEMBL
CHEMBL357221
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 472
Related reactions
2 records
Compound notes
Loading…