Ethyl 4-chloro-2-methyl-3-propylquinoline-6-carboxylate
Basic information
- CAS
5685-70-1- Standard SMILES
CCCc1c(C)nc2ccc(C(=O)OCC)cc2c1Cl- InChIKey
ACINXBSQEJQNBM-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO2
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1026065
Names & identifiers
- Preferred name
- Ethyl 4-chloro-2-methyl-3-propylquinoline-6-carboxylate
- IUPAC
- ethyl 4-chloro-2-methyl-3-propylquinoline-6-carboxylate
Names & synonyms
ethyl 4-chloro-2-methyl-3-propylquinoline-6-carboxylate5685-70-14-Chloro-2-methyl-3-propyl-quinoline-6-carboxylic acid ethyl esterOprea1_287968Oprea1_491144DTXSID90355076AKOS000618616DA-25846ethyl 4-chloro-2-methyl-3-propyl-6-quinolinecarboxylate
Database identifiers
- CAS
5685-70-1- PubChem CID
- 790784
- DTXSID
DTXSID90355076
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
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Compound notes
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