Basic information
- CAS
88172-38-7- Standard SMILES
Cn1c2ccccc2n2c3ccccc3c(=O)c(C#N)c12- InChIKey
XRQNYPHNZPECFW-UHFFFAOYSA-N- Molecular formula
- C17H11N3O
- Average molar mass
- 273.29 g/mol
- Monoisotopic mass
- 273.09021198
Names & identifiers
- Preferred name
- 7-Methyl-5-oxo-benzimidazolo[1,2-a]quinoline-6-carbonitrile
- IUPAC
- 7-methyl-5-oxobenzimidazolo[1,2-a]quinoline-6-carbonitrile
Names & synonyms
NSC69121588172-38-7CHEMBL1981909DTXSID603278267-methyl-5-oxo-benzimidazolo[1,2-a]quinoline-6-carbonitrileAKOS024367596Benzimidazo[1,2-a]quinoline-6-carbonitrile, 5,7-dihydro-7-methyl-5-oxo-NSC-691215NCI60_032749ST51001553Z7342961587-Methyl-5-oxo-5,7-dihydro[1,3]benzimidazo[1,2-a]quinoline-6-carbonitrile
Show more names
7-methyl-5-oxo-7,12-dihydrobenzimidazolo[1,2-a]quinoline-6-carbonitrile
Database identifiers
- CAS
88172-38-7- PubChem CID
- 391673
- DTXSID
DTXSID60327826- ChEMBL
CHEMBL1981909
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 558
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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