Basic information
- CAS
40501-67-5- Standard SMILES
COC(=O)N1c2ccccc2C=C(NC(C)=O)C1C#N- InChIKey
GJAMTSVJVBFCKY-UHFFFAOYSA-N- Molecular formula
- C14H13N3O3
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.09569129
Names & identifiers
- Preferred name
- methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate
- IUPAC
- methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylate
Names & synonyms
40501-67-5methyl 3-acetamido-2-cyano-2H-quinoline-1-carboxylateNSC165894DTXSID30304487NSC-165894Methyl 3-acetamido-2-cyanoquinoline-1(2H)-carboxylate
Database identifiers
- CAS
40501-67-5- PubChem CID
- 296102
- DTXSID
DTXSID30304487
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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