Basic information
- Standard SMILES
COc1ccc2[nH]c(NC(=O)c3cc4ccccc4cn3)nc2c1C(=O)O- InChIKey
ARHLHBHNJITFFX-UHFFFAOYSA-N- Molecular formula
- C19H14N4O4
- Average molar mass
- 362.3 g/mol
- Monoisotopic mass
- 362.10150494
Names & identifiers
- Preferred name
- 2-[(isoquinoline-3-carbonyl)-amino]-5-methoxy-1H-benzoimidazole-4-carboxylic acid
- IUPAC
- 2-(isoquinoline-3-carbonylamino)-5-methoxy-1H-benzimidazole-4-carboxylic acid
Names & synonyms
SCHEMBL1203117ARHLHBHNJITFFX-UHFFFAOYSA-N2-[(isoquinoline-3-carbonyl)-amino]-5-methoxy-1H-benzoimidazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 66940762
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 574
Related reactions
8 records
Compound notes
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