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Basic information
- Standard SMILES
COc1cc(=O)n(Cc2nc3cc(CNC(=O)OC(C)(C)C)ccc3n2CCCCO)c2ccccc12- InChIKey
JRLMFZVDQAUFJX-UHFFFAOYSA-N- Molecular formula
- C28H34N4O5
- Average molar mass
- 506.6 g/mol
- Monoisotopic mass
- 506.2529202
Names & identifiers
- Preferred name
- [1-(4-hydroxy-butyl)-2-(4-methoxy-2-oxo-2H-quinolin-1-ylmethyl)-1H-benzoimidazol-5-ylmethyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[[1-(4-hydroxybutyl)-2-[(4-methoxy-2-oxoquinolin-1-yl)methyl]benzimidazol-5-yl]methyl]carbamate
Names & synonyms
SCHEMBL6242389JRLMFZVDQAUFJX-UHFFFAOYSA-N[1-(4-hydroxy-butyl)-2-(4-methoxy-2-oxo-2H-quinolin-1-ylmethyl)-1H-benzoimidazol-5-ylmethyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69717811
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 828
Related reactions
4 records
Compound notes
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