Basic information
- CAS
133626-80-9- Standard SMILES
CCN1c2ccc(CN)cc2N(C)C(=O)c2cccnc21- InChIKey
SZGWHRPEDQDLTG-UHFFFAOYSA-N- Molecular formula
- C16H18N4O
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.14806121
Names & identifiers
- Preferred name
- 8-Aminoethyl-N11-ethyl-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
- IUPAC
- 8-(aminomethyl)-11-ethyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
Names & synonyms
133626-80-98-Aminoethyl-N11-ethyl-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one8-Aminoethyl-N11-ethyl-N6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-oneCHEMBL72545DTXSID701582248-(aminomethyl)-11-ethyl-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one8-(Aminomethyl)-11-ethyl-6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one
Database identifiers
- CAS
133626-80-9- PubChem CID
- 453288
- DTXSID
DTXSID70158224- ChEMBL
CHEMBL72545- Nikkaji
- J420.551K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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