Basic information
- Standard SMILES
COc1cc2c(OC(C)C)nc(Nc3cc(C)[nH]n3)cc2c(Cl)c1OC- InChIKey
DDWDKYMAAFGPJT-UHFFFAOYSA-N- Molecular formula
- C18H21ClN4O3
- Average molar mass
- 376.8 g/mol
Names & identifiers
- Preferred name
- (5-Chloro-1-isopropoxy-6,7-dimethoxy-isoquinolin-3-yl)-(5-methyl-1H-pyrazol-3-yl)-amine
- IUPAC
- 5-chloro-6,7-dimethoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yloxyisoquinolin-3-amine
Names & synonyms
SCHEMBL3969395DDWDKYMAAFGPJT-UHFFFAOYSA-N(5-Chloro-1-isopropoxy-6,7-dimethoxy-isoquinolin-3-yl)-(5-methyl-1H-pyrazol-3-yl)-amine
Database identifiers
- PubChem CID
- 57799523
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 458
Related reactions
1 records
Compound notes
Loading…