Basic information
- Standard SMILES
COC(=O)c1cccc2nc(NC(=O)c3cc4ccccc4cn3)oc12- InChIKey
GLNHJVPDTWEYDC-UHFFFAOYSA-N- Molecular formula
- C19H13N3O4
- Average molar mass
- 347.3 g/mol
Names & identifiers
- Preferred name
- 2-[(Isoquinoline-3-carbonyl)-amino]-benzooxazole-7-carboxylic acid methyl ester
- IUPAC
- methyl 2-(isoquinoline-3-carbonylamino)-1,3-benzoxazole-7-carboxylate
Names & synonyms
SCHEMBL1201679GLNHJVPDTWEYDC-UHFFFAOYSA-N2-[(Isoquinoline-3-carbonyl)-amino]-benzooxazole-7-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 66940311
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 543
Related reactions
8 records
Compound notes
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