Basic information
- CAS
1383849-47-5- Standard SMILES
COC(=O)c1ccc2cc(-c3ccccc3)c(=O)[nH]c2c1- InChIKey
MDJHLVCWLQRSEU-UHFFFAOYSA-N- Molecular formula
- C17H13NO3
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.08954328
Names & identifiers
- Preferred name
- Methyl 2-oxo-3-phenyl-1,2-dihydroquinoline-7-carboxylate
- IUPAC
- methyl 2-oxo-3-phenyl-1H-quinoline-7-carboxylate
Names & synonyms
1383849-47-5methyl 2-oxo-3-phenyl-1H-quinoline-7-carboxylatemethyl 2-oxo-3-phenyl-1,2-dihydroquinoline-7-carboxylateSCHEMBL9953734DTXSID501156447DA-109177-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-3-phenyl-, methyl ester
Database identifiers
- CAS
1383849-47-5- PubChem CID
- 67982007
- DTXSID
DTXSID501156447
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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