Pyrazino(1,2-a;4,5-a')diindole-6,13-dione

Substructure search Find similar structures

Basic information

CAS: 58881-41-7
Standard SMILES: O=c1c2cc3ccccc3n2c(=O)c2cc3ccccc3n12
InChIKey: KVIOIFKWKBDGAV-UHFFFAOYSA-N
Molecular formula: C18H10N2O2
Average molar mass: 286.3 g/mol
Monoisotopic mass: 286.07422757

Names & identifiers

Preferred name: Pyrazino(1,2-a;4,5-a')diindole-6,13-dione
IUPAC: 3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4,6,8,10,14,16,18-octaene-2,12-dione

Names & synonyms

58881-41-7Pyrazino(1,2-a;4,5-a')diindole-6,13-dioneUQX84B2SB9UNII-UQX84B2SB9NSC 294614NSC-294614DTXSID802075906H,13H-Pyrazino[1,2-a:4,5-a']diindole-6,13-dione6H,13H-PYRAZINO(1,2-A:4,5-A')DIINDOLE-6,13-DIONERefChem:177452DTXCID30130081NSC294614

Show more names

Pyrazino[1,2-aCHEMBL19660994,5-a']diindole-6,13-dioneNCI60_002444

Database identifiers

CAS: 58881-41-7
PubChem CID: 325616
DTXSID: DTXSID80207590
ChEMBL: CHEMBL1966099
UNII: UQX84B2SB9
Nikkaji: J1.925.193D

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 44 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 22
Formal charge: 0
Complexity: 473

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…