3-Bromo-N11-ethyl-N6-methyl-9-nitro-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one

HCID 453301

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Basic information

CAS: 133626-90-1
Standard SMILES: CCN1c2cc([N+](=O)[O-])ccc2N(C)C(=O)c2cc(Br)cnc21
InChIKey: LIMOIQFYXGBHPB-UHFFFAOYSA-N
Molecular formula: C15H13BrN4O3
Average molar mass: 377.19 g/mol
Monoisotopic mass: 376.0171

Names & identifiers

Preferred name: 3-Bromo-N11-ethyl-N6-methyl-9-nitro-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
IUPAC: 3-bromo-11-ethyl-6-methyl-9-nitropyrido[3,2-c][1,5]benzodiazepin-5-one

Names & synonyms

133626-90-13-Bromo-N11-ethyl-N6-methyl-9-nitro-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one3-Bromo-N11-ethyl-N6-methyl-9-nitro-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-oneBDBM1654CHEMBL305416Pyridobenzodiazepinone deriv. 63DTXSID201582343-bromo-11-ethyl-6-methyl-9-nitro-pyrido[3,2-c][1,5]benzodiazepin-5-one3-Bromo-11-ethyl-6-methyl-9-nitro-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one6-bromo-2-ethyl-10-methyl-14-nitro-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: 133626-90-1
PubChem CID: 453301
DTXSID: DTXSID20158234
ChEMBL: CHEMBL305416
Nikkaji: J420.568E

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 82.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 23
Formal charge: 0
Complexity: 486

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