Methyl 2-cyano-6-methylquinoline-1(2h)-carboxylate
Basic information
- CAS
40448-90-6- Standard SMILES
COC(=O)N1c2ccc(C)cc2C=CC1C#N- InChIKey
BYHJPFWRWVGRDV-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Names & identifiers
- Preferred name
- Methyl 2-cyano-6-methylquinoline-1(2h)-carboxylate
- IUPAC
- methyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate
Names & synonyms
40448-90-6methyl 2-cyano-6-methylquinoline-1(2h)-carboxylateNSC150069DTXSID60302299NSC-150069
Database identifiers
- CAS
40448-90-6- PubChem CID
- 288744
- DTXSID
DTXSID60302299
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 382
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Compound notes
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