5H-Pyrido[1',2':1,2]pyrimido[4,5-b]acridine-7,15-dione
Basic information
- CAS
70243-37-7- Standard SMILES
O=c1c2ccccc2[nH]c2cc3c(=O)n4ccccc4nc3cc12- InChIKey
NZHFSLRZFNJLGE-UHFFFAOYSA-N- Molecular formula
- C19H11N3O2
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.0851266
Names & identifiers
- Preferred name
- 5H-Pyrido[1',2':1,2]pyrimido[4,5-b]acridine-7,15-dione
- IUPAC
- 4,10,15-triazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,12,16,18,20-nonaene-11,22-dione
Names & synonyms
NSC37390070243-37-75H-Pyrido[1',2':1,2]pyrimido[4,5-b]acridine-7,15-dioneSCHEMBL11571364DTXSID80331142NSC-373900
Database identifiers
- CAS
70243-37-7- PubChem CID
- 435675
- DTXSID
DTXSID80331142
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 680
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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