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

HCID 453333

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Basic information

CAS: 133627-19-7
Standard SMILES: Cc1ccnc2c1N(C)C(=O)c1cccnc1N2C1CC1
InChIKey: AROAJCGIVIHNIF-UHFFFAOYSA-N
Molecular formula: C16H16N4O
Average molar mass: 280.32 g/mol
Monoisotopic mass: 280.13241115

Names & identifiers

Preferred name: N11-Cyclopropyl-4,N5-dimethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
IUPAC: 2-cyclopropyl-7,9-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

Names & synonyms

133627-19-7N11-Cyclopropyl-4,N5-dimethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-oneDTXSID40158256N11-Cyclopropyl-4,N5-dimethyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneRefChem:365111DTXCID0080747CHEMBL291267SCHEMBL13915889BDBM5009577411-cyclopropyl-4,5-dimethyl-dipyrido[[?],[?]][1,4]diazepin-6-one11-Cyclopropyl-4,5-dimethyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5-Cyclopropyl-9,10-dimethyl-5,10-dihydro-4,5,6,10-tetraaza-dibenzo[a,d]cyclohepten-11-one

Database identifiers

CAS: 133627-19-7
PubChem CID: 453333
DTXSID: DTXSID40158256
ChEMBL: CHEMBL291267
Nikkaji: J420.602I

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 21
Formal charge: 0
Complexity: 425

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