3-(1,2-Dihydro-5H-tetrazol-5-ylidene)-7-ethylquinolin-4(3H)-one
Basic information
- CAS
61338-49-6- Standard SMILES
CCc1ccc2c(=O)c(-c3nn[nH]n3)c[nH]c2c1- InChIKey
GEMXDJJGFZVUBZ-UHFFFAOYSA-N- Molecular formula
- C12H11N5O
- Average molar mass
- 241.25 g/mol
- Monoisotopic mass
- 241.09635999
Names & identifiers
- Preferred name
- 3-(1,2-Dihydro-5H-tetrazol-5-ylidene)-7-ethylquinolin-4(3H)-one
- IUPAC
- 7-ethyl-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one
Names & synonyms
61338-49-6CHEMBL3303869DTXSID607070033-(1,2-Dihydro-5H-tetrazol-5-ylidene)-7-ethylquinolin-4(3H)-one
Database identifiers
- CAS
61338-49-6- PubChem CID
- 136136164
- DTXSID
DTXSID60707003- ChEMBL
CHEMBL3303869
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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