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

Substructure search Find similar structures

Basic information

CAS: 133627-22-2
Standard SMILES: CCN1c2ncccc2C(=O)Nc2c(OC)ccnc21
InChIKey: NEXOHOYQUTXPTJ-UHFFFAOYSA-N
Molecular formula: C14H14N4O2
Average molar mass: 270.29 g/mol
Monoisotopic mass: 270.1116757

Names & identifiers

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

Names & synonyms

133627-22-2N11-Ethyl-4-methoxy-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-oneN11-Ethyl-4-methoxy-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneCHEMBL70511DTXSID2015825911-ethyl-4-methoxy-5H-dipyrido[[?],[?]][1,4]diazepin-6-one11-Ethyl-4-methoxy-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

Database identifiers

CAS: 133627-22-2
PubChem CID: 453336
DTXSID: DTXSID20158259
ChEMBL: CHEMBL70511
Nikkaji: J420.605C

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 67.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 365

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…