N5,N11-Dimethyl-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one

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Basic information

CAS: 24000-48-4
Standard SMILES: CN1C(=O)c2ccccc2N(C)c2ncccc21
InChIKey: MLWIUGGSNLPGMK-UHFFFAOYSA-N
Molecular formula: C14H13N3O
Average molar mass: 239.27 g/mol
Monoisotopic mass: 239.10586205

Names & identifiers

Preferred name: N5,N11-Dimethyl-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
IUPAC: 5,11-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one

Names & synonyms

24000-48-4N5,N11-Dimethyl-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-oneN5,N11-Dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one5,11-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-oneCHEMBL70720DTXSID601787345,11-Dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Database identifiers

CAS: 24000-48-4
PubChem CID: 453350
DTXSID: DTXSID60178734
ChEMBL: CHEMBL70720
Nikkaji: J420.619C

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 36.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 333

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Compound notes

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