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Basic information
- Standard SMILES
COC(=O)c1ccc(-c2cncc3ccccc23)[nH]1- InChIKey
BKHBLFHAUKTVSV-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987763
Names & identifiers
- Preferred name
- 5-isoquinolin-4-yl-1H-pyrrole-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-isoquinolin-4-yl-1H-pyrrole-2-carboxylate
Names & synonyms
SCHEMBL6335507BKHBLFHAUKTVSV-UHFFFAOYSA-N5-isoquinolin-4-yl-1H-pyrrole-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 69745355
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Related reactions
3 records
Compound notes
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