7-(2-Oxazolyl)-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid
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Basic information
- Standard SMILES
CCCC(CCC)N1CCc2c(C(=O)O)cc(-c3ncco3)cc2C1=O- InChIKey
GCQOBTLMJHSUNI-UHFFFAOYSA-N- Molecular formula
- C20H24N2O4
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.17360725
Names & identifiers
- Preferred name
- 7-(2-Oxazolyl)-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid
- IUPAC
- 2-heptan-4-yl-7-(1,3-oxazol-2-yl)-1-oxo-3,4-dihydroisoquinoline-5-carboxylic acid
Names & synonyms
7-(2-oxazolyl)-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid7-(2-oxazolyl]-1-oxo-2-(1-propylbutyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxylic acidSCHEMBL2993841GCQOBTLMJHSUNI-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 68469697
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 506
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Related reactions
4 records
Compound notes
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