Basic information
- Standard SMILES
N#Cc1ccc(N2C(=O)C3C(O)CCN3C2=O)c2cccnc12- InChIKey
ZQWPZKSWEAXYLV-UHFFFAOYSA-N- Molecular formula
- C16H12N4O3
- Average molar mass
- 308.29 g/mol
- Monoisotopic mass
- 308.09094026
Names & identifiers
- Preferred name
- 5-(7-Hydroxy-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)quinoline-8-carbonitrile
- IUPAC
- 5-(7-hydroxy-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)quinoline-8-carbonitrile
Names & synonyms
SCHEMBL13216167
Database identifiers
- PubChem CID
- 70859577
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 585
Related reactions
2 records
Compound notes
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