Basic information
- Standard SMILES
COC(=O)C1=Nc2cc(C)c(Cl)cc2C(=O)C1- InChIKey
KDNMQEWSPXSMDB-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO3
- Average molar mass
- 251.66 g/mol
Names & identifiers
- Preferred name
- 2-Methoxycarbonyl-6-chloro-7-methyl-4-oxoquinoline
- IUPAC
- methyl 6-chloro-7-methyl-4-oxo-3H-quinoline-2-carboxylate
Names & synonyms
SCHEMBL2907944KDNMQEWSPXSMDB-UHFFFAOYSA-N2-methoxycarbonyl-6-chloro-7-methyl-4-oxoquinoline
Database identifiers
- PubChem CID
- 68436346
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 380
Related reactions
5 records
Compound notes
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