N11-Ethyl-7,8,N6-trimethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one

HCID 453293

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Basic information

CAS: 133626-83-2
Standard SMILES: CCN1c2ccc(C)c(C)c2N(C)C(=O)c2cccnc21
InChIKey: VIKCADRKXGMLKS-UHFFFAOYSA-N
Molecular formula: C17H19N3O
Average molar mass: 281.35 g/mol
Monoisotopic mass: 281.15281224

Names & identifiers

Preferred name: N11-Ethyl-7,8,N6-trimethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
IUPAC: 11-ethyl-6,7,8-trimethylpyrido[3,2-c][1,5]benzodiazepin-5-one

Names & synonyms

133626-83-2N11-Ethyl-7,8,N6-trimethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneN11-Ethyl-7,8,N6-trimethyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-onePyridobenzodiazepinone deriv. 55CHEMBL70629BDBM1646DTXSID5015822711-ethyl-6,7,8-trimethyl-pyrido[3,2-c][1,5]benzodiazepin-5-one11-Ethyl-6,7,8-trimethyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one2-ethyl-10,12,13-trimethyl-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: 133626-83-2
PubChem CID: 453293
DTXSID: DTXSID50158227
ChEMBL: CHEMBL70629
Nikkaji: J420.556A

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 36.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 21
Formal charge: 0
Complexity: 399

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