N11-(2-Fluoroethyl)-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
Basic information
- CAS
132687-04-8- Standard SMILES
CN1C(=O)c2cccnc2N(CCF)c2ccccc21- InChIKey
CYQOCCBFPKGCKI-UHFFFAOYSA-N- Molecular formula
- C15H14FN3O
- Average molar mass
- 271.29 g/mol
- Monoisotopic mass
- 271.11209024
Names & identifiers
- Preferred name
- N11-(2-Fluoroethyl)-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
- IUPAC
- 11-(2-fluoroethyl)-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
Names & synonyms
132687-04-8N11-(2-Fluoroethyl)-N6-methyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneN11-(2-Fluoroethyl)-N6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-oneCHEMBL419629SCHEMBL8791355DTXSID1015771111-(2-fluoroethyl)-6-methyl-pyrido[3,2-c][1,5]benzodiazepin-5-one11-(2-Fluoroethyl)-6-methyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one
Database identifiers
- CAS
132687-04-8- PubChem CID
- 453263
- DTXSID
DTXSID10157711- ChEMBL
CHEMBL419629- Nikkaji
- J420.531F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
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