2-(Hydroxyimino)propyl 2-methylquinoline-4-carboxylate
Basic information
- CAS
6342-45-6- Standard SMILES
C/C(COC(=O)c1cc(C)nc2ccccc12)=N\O- InChIKey
DGXIQGNTVGUPOV-MHWRWJLKSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.10044231
Names & identifiers
- Preferred name
- 2-(Hydroxyimino)propyl 2-methylquinoline-4-carboxylate
- IUPAC
- [(2E)-2-hydroxyiminopropyl] 2-methylquinoline-4-carboxylate
Names & synonyms
NSC501026342-45-62-(Hydroxyimino)propyl 2-methylquinoline-4-carboxylateDTXSID20430082NSC-50102(2E)-2-(Hydroxyimino)propyl 2-methylquinoline-4-carboxylate
Database identifiers
- CAS
6342-45-6- PubChem CID
- 9561399
- DTXSID
DTXSID20430082
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
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Compound notes
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