Pyrido[2,1-b]pyrido[1',2':1,2]pyrimido[4,5-g]quinazoline-7,15-dione
Basic information
- CAS
52000-72-3- Standard SMILES
O=c1c2cc3nc4ccccn4c(=O)c3cc2nc2ccccn12- InChIKey
XELJVWZMGNFMGV-UHFFFAOYSA-N- Molecular formula
- C18H10N4O2
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.08037557
Names & identifiers
- Preferred name
- Pyrido[2,1-b]pyrido[1',2':1,2]pyrimido[4,5-g]quinazoline-7,15-dione
- IUPAC
- 4,10,15,21-tetrazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3(12),4,6,8,13,15,17,19-nonaene-11,22-dione
Names & synonyms
52000-72-3NSC315849SCHEMBL11549158DTXSID00317463Pyrido[2,1-b]pyrido[1',2':1,2]pyrimido[4,5-g]quinazoline-7,15-dioneNSC-315849
Database identifiers
- CAS
52000-72-3- PubChem CID
- 330099
- DTXSID
DTXSID00317463- Nikkaji
- J927.864H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 749
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Compound notes
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