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

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Basic information

CAS: 133627-23-3
Standard SMILES: CCN1c2ncccc2C(=O)Nc2c1[nH]ccc2=O
InChIKey: RXVDMYVTIXBBQR-UHFFFAOYSA-N
Molecular formula: C13H12N4O2
Average molar mass: 256.26 g/mol
Monoisotopic mass: 256.09602564

Names & identifiers

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

Names & synonyms

133627-23-3N11-Ethyl-4-hydroxy-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-oneN11-Ethyl-4-hydroxy-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneCHEMBL306225DTXSID3015826011-ethyl-4-hydroxy-5H-dipyrido[[?],[?]][1,4]diazepin-6-one11-Ethyl-5,11-dihydro-1H-dipyrido[3,2-b:2',3'-e][1,4]diazepine-4,6-dione

Database identifiers

CAS: 133627-23-3
PubChem CID: 453337
DTXSID: DTXSID30158260
ChEMBL: CHEMBL306225
Nikkaji: J420.606A

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 74.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 483

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Compound notes

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