4-Chloro-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: 133627-20-0
Standard SMILES: CCN1c2ncccc2C(=O)Nc2c(Cl)ccnc21
InChIKey: AAWWSWAOXUPEEG-UHFFFAOYSA-N
Molecular formula: C13H11ClN4O
Average molar mass: 274.7 g/mol
Monoisotopic mass: 274.0621387

Names & identifiers

Preferred name: 4-Chloro-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
IUPAC: 7-chloro-2-ethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

Names & synonyms

133627-20-0CHEMBL378424-Chloro-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one4-Chloro-N11-ethyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneDipyridodiazepinone deriv. 98BDBM1666DTXSID001582574-chloro-11-ethyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one4-Chloro-11-ethyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one7-chloro-2-ethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

Database identifiers

CAS: 133627-20-0
PubChem CID: 453334
DTXSID: DTXSID00158257
ChEMBL: CHEMBL37842
Nikkaji: J420.603G

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 58.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 354

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Compound notes

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