Basic information
- Standard SMILES
COc1cc(-n2ccc3cc(OC[C@@H]4CCCO4)ccc3c2=O)ccc1N1CCCN(CC(C)(C)O)CC1- InChIKey
QTFPTLFIGMJWLA-VWLOTQADSA-N- Molecular formula
- C30H39N3O5
- Average molar mass
- 521.6 g/mol
Names & identifiers
- Preferred name
- 2-{4-[4-(2-Hydroxy-2-methyl-propyl)-[1,4]diazepan-1-yl]-3-methoxy-phenyl}-6-[(S)-1-(tetrahydro-furan-2-yl)methoxy]-2H-isoquinolin-1-one
- IUPAC
- 2-[4-[4-(2-hydroxy-2-methylpropyl)-1,4-diazepan-1-yl]-3-methoxyphenyl]-6-[[(2S)-oxolan-2-yl]methoxy]isoquinolin-1-one
Names & synonyms
SCHEMBL4293221QTFPTLFIGMJWLA-VWLOTQADSA-N2-{4-[4-(2-Hydroxy-2-methyl-propyl)-[1,4]diazepan-1-yl]-3-methoxy-phenyl}-6-[(S)-1-(tetrahydro-furan-2-yl)methoxy]-2H-isoquinolin-1-one
Database identifiers
- PubChem CID
- 57916616
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 822
Related reactions
1 records
Compound notes
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