Basic information
- Standard SMILES
COc1ccc2c(Cl)nc(Nc3cc(C)[nH]n3)cc2c1- InChIKey
PQPBRGLQTPTDQZ-UHFFFAOYSA-N- Molecular formula
- C14H13ClN4O
- Average molar mass
- 288.73 g/mol
- Monoisotopic mass
- 288.0777887
Names & identifiers
- Preferred name
- (1-chloro-6-methoxy-isoquinolin-3-yl)-(5-methyl-1H-pyrazol-3-yl)-amine
- IUPAC
- 1-chloro-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine
Names & synonyms
SCHEMBL3967592PQPBRGLQTPTDQZ-UHFFFAOYSA-N(1-chloro-6-methoxy-isoquinolin-3-yl)-(5-methyl-1H-pyrazol-3-yl)-amine
Database identifiers
- PubChem CID
- 57799674
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Related reactions
133 records
Linked notes
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