(E)-11-((furan-2-ylmethylene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Basic information
- CAS
860808-18-0- Standard SMILES
COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccco1- InChIKey
LFMYWYNDAQDDNA-SSDVNMTOSA-N- Molecular formula
- C20H16N6O3
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.12838839
Names & identifiers
- Preferred name
- (E)-11-((furan-2-ylmethylene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
- IUPAC
- 17-[(E)-furan-2-ylmethylideneamino]-13-(2-methoxyethyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Names & synonyms
MLS000332921CHEMBL3190981DTXSID401331771STL233875AKOS025273876860808-18-0SMR000436213(E)-11-((furan-2-ylmethylene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one11-{(E)-[(Furan-2-yl)methylidene]amino}-3-(2-methoxyethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one11-{[(E)-furan-2-ylmethylidene]amino}-3-(2-methoxyethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one11-{[1-Furan-2-yl-meth-(E)-ylidene]-amino}-3-(2-methoxy-ethyl)-3,11-dihydro-1,3,5,10,11-pentaaza-ben zo[b]fluoren-4-one17-[(E)-furan-2-ylmethylideneamino]-13-(2-methoxyethyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Database identifiers
- CAS
860808-18-0- PubChem CID
- 9682893
- DTXSID
DTXSID401331771- ChEMBL
CHEMBL3190981
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 673
Experimental & physicochemical properties
Solubility1.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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