N11-Ethyl-7,N6-dimethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one

HCID 453271

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Basic information

CAS: 133626-65-0
Standard SMILES: CCN1c2cccc(C)c2N(C)C(=O)c2cccnc21
InChIKey: XZKUDZNOAWQGAL-UHFFFAOYSA-N
Molecular formula: C16H17N3O
Average molar mass: 267.33 g/mol
Monoisotopic mass: 267.13716217

Names & identifiers

Preferred name: N11-Ethyl-7,N6-dimethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
IUPAC: 11-ethyl-6,7-dimethylpyrido[3,2-c][1,5]benzodiazepin-5-one

Names & synonyms

133626-65-0N11-Ethyl-7,N6-dimethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneN11-Ethyl-7,N6-dimethyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-onePyridobenzodiazepinone deriv. 31BDBM1638CHEMBL305521DTXSID7015820911-ethyl-6,7-dimethyl-pyrido[3,2-c][1,5]benzodiazepin-5-one11-Ethyl-6,7-dimethyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one6,ll-Dihydro-1 l-ethyl-6,7-dimethyl-5H-pyrido[2,3-b]-[ 1,5]benzodiazepin-5-one2-ethyl-10,12-dimethyl-2,4,10-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-one

Database identifiers

CAS: 133626-65-0
PubChem CID: 453271
DTXSID: DTXSID70158209
ChEMBL: CHEMBL305521
Nikkaji: J420.536G

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 36.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 373

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