Basic information
- CAS
16699-10-8- Standard SMILES
CN(N=O)c1ccc(/C=C/c2ccnc3ccccc23)cc1- InChIKey
IJOCQJGYYDLLAT-RMKNXTFCSA-N- Molecular formula
- C18H15N3O
- Average molar mass
- 289.3 g/mol
- Monoisotopic mass
- 289.12151211
Names & identifiers
- Preferred name
- N-methyl-N-(4-(2-(quinolin-4-yl)vinyl)phenyl)nitrous amide
- IUPAC
- N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]nitrous amide
Names & synonyms
CHEMBL1896298NSC101984NCI101984DTXSID00860186BDBM50515990CCG-36312WLN: T66 BNJ E1U1R DN1&NONCGC00183995-01NCGC00183995-02NCGC00183995-03NCGC00183995-04NCGC00183995-05
Show more names
NCGC00183995-06N-methyl-N-(4-(2-(quinolin-4-yl)vinyl)phenyl)nitrous amideN-Methyl-N-{4-[(E)-2-(quinolin-4-yl)ethenyl]phenyl}nitrous amideN-Methyl-N-{4-[(E)-2-(quinolin-4-yl)ethen-1-yl]phenyl}nitrous amide
Database identifiers
- CAS
16699-10-8- PubChem CID
- 5284422
- DTXSID
DTXSID00860186- ChEMBL
CHEMBL1896298- Nikkaji
- J54.286E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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