1(2H)-Quinolinecarboxylic acid, isopropyl ester
Basic information
- CAS
17718-20-6- Standard SMILES
CC(C)OC(=O)N1CC=Cc2ccccc21- InChIKey
XBPMXUYSYAIPTR-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- 1(2H)-Quinolinecarboxylic acid, isopropyl ester
- IUPAC
- propan-2-yl 2H-quinoline-1-carboxylate
- English name
- 1(2H)-Quinolinecarboxylic acid isopropyl ester
- Molecular weight
- 0
Names & synonyms
17718-20-61(2H)-Quinolinecarboxylic acid, isopropyl esterDTXSID30170265RefChem:1051450DTXCID4092756propan-2-yl 2H-quinoline-1-carboxylateIsopropyl 1(2H)-quinolinecarboxylateBRN 12861721(2H)-Quinolinecarboxylic acid isopropyl ester1(2H)-Quinolinecarboxylic acid, 1-methylethyl esterSCHEMBL6110761Propan-2-yl quinoline-1(2H)-carboxylate
Database identifiers
- CAS
17718-20-6- PubChem CID
- 87268
- DTXSID
DTXSID30170265- Nikkaji
- J48.213G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
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Compound notes
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