Basic information
- CAS
36769-44-5- Standard SMILES
CCCOC(=O)C1c2ccc(O)cc2C(O)CN1C- InChIKey
UYQLMPDQOLGGOL-UHFFFAOYSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.13140809
Names & identifiers
- Preferred name
- 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, propyl ester
- IUPAC
- propyl 4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylate
- English name
- 1,2,3,4-Tetrahydro-4,6-dihydroxy-2-methyl-1-isoquinolinecarboxylic acid propyl ester
- Molecular formula
- C14H19NO4
- Molecular weight
- 265.3
Names & synonyms
36769-44-51-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, propyl esterRefChem:1055677BRN 04880754,6-Dihydroxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid1-Isoquinolinecarboxylic acid, 4,6-dihydroxy-2-methyl-1,2,3,4-tetrahydro-1-, propyl esterDTXSID80957987propyl 4,6-dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylate1,2,3,4-Tetrahydro-4,6-dihydroxy-2-methyl-1-isoquinolinecarboxylic acid propyl esterDB-259075
Database identifiers
- CAS
36769-44-5- PubChem CID
- 37525
- DTXSID
DTXSID80957987- Nikkaji
- J41.123J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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