Dipyridodiazepinone deriv. 24
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Basic information
- Standard SMILES
CCN1c2ncccc2C(=O)Nc2c(C)cc(NCCCO)nc21- InChIKey
SGXFRGLRYZSEDC-UHFFFAOYSA-N- Molecular formula
- C17H21N5O2
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- Dipyridodiazepinone deriv. 24
- IUPAC
- 2-ethyl-5-(3-hydroxypropylamino)-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. 24BDBM1537CHEMBL343625SCHEMBL8889187SGXFRGLRYZSEDC-UHFFFAOYSA-N11-ethyl-2-(3-hydroxypropylamino)-4-methyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one11-Ethyl-2-[(3-hydroxypropyl)amino]-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one2-ethyl-5-[(3-hydroxypropyl)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-(3-hydroxypropyl)amino-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Database identifiers
- PubChem CID
- 463151
- ChEMBL
CHEMBL343625
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 435
Related reactions
2 records
Compound notes
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