Basic information
- Standard SMILES
Cc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc3ccccc23)cc1- InChIKey
ATNCOBDRJMQUTJ-UHFFFAOYSA-N- Molecular formula
- C20H18N4O
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.14806121
Names & identifiers
- Preferred name
- (5-methyl-1H-pyrazol-3-yl)-(1-p-tolyloxy-isoquinolin-3-yl)-amine
- IUPAC
- 1-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine
Names & synonyms
SCHEMBL3967157ATNCOBDRJMQUTJ-UHFFFAOYSA-N(5-methyl-1H-pyrazol-3-yl)-(1-p-tolyloxy-isoquinolin-3-yl)-amine
Database identifiers
- PubChem CID
- 57799653
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 426
Related reactions
2 records
Compound notes
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