9,N5-Dimethyl-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one

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Basic information

CAS: 133627-34-6
Standard SMILES: CCN1c2nc(C)ccc2C(=O)N(C)c2cccnc21
InChIKey: RNPIJLYEIKAEGF-UHFFFAOYSA-N
Molecular formula: C15H16N4O
Average molar mass: 268.31 g/mol
Monoisotopic mass: 268.13241115

Names & identifiers

Preferred name: 9,N5-Dimethyl-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
IUPAC: 2-ethyl-9,14-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

Names & synonyms

133627-34-69,N5-Dimethyl-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-oneCHEMBL3050419,N5-Dimethyl-N11-ethyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneDTXSID70158269BDBM5040774711-ethyl-5,9-dimethyl-dipyrido[[?],[?]][1,4]diazepin-6-one11-Ethyl-5,9-dimethyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

Database identifiers

CAS: 133627-34-6
PubChem CID: 453348
DTXSID: DTXSID70158269
ChEMBL: CHEMBL305041
Nikkaji: J420.617G

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 375

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Compound notes

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