Basic information
- Standard SMILES
CCOC(=O)CNC(Cc1ccc(OC)cc1)C(=O)N1CCCC1C(=O)NCc1ccc2c(N)nccc2c1- InChIKey
VVGYZIKAYGYLJX-UHFFFAOYSA-N- Molecular formula
- C29H35N5O5
- Average molar mass
- 533.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[[1-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]acetate
- IUPAC
- ethyl 2-[[1-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]acetate
Database identifiers
- PubChem CID
- 69780538
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 820
Related reactions
1 records
Compound notes
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