Ethyl 1-methylisoquinoline-3-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
86051-56-1- Standard SMILES
CCOC(=O)c1cc2ccccc2c(C)n1- InChIKey
UDYKGFCUKZTVFG-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-methylisoquinoline-3-carboxylate
- IUPAC
- ethyl 1-methylisoquinoline-3-carboxylate
- English name
- 1-methyl-3-Isoquinolinecarboxylic acid Ethyl ester
- Molecular formula
- C13H13NO2
- Molecular weight
- 215.25
Names & synonyms
ETHYL 1-METHYLISOQUINOLINE-3-CARBOXYLATE1-methyl-3-Isoquinolinecarboxylic acid Ethyl ester1-methyl-3-carbethoxyisoquinolineAKOS015900735DB-0765443-Isoquinolinecarboxylic acid, 1-methyl-, ethyl ester
Database identifiers
- CAS
86051-56-1- Nikkaji
- J793.282K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…