Basic information
- Standard SMILES
COCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)c1c[nH]c2ccccc12- InChIKey
REIQQQHSEAYETN-UHFFFAOYSA-N- Molecular formula
- C26H28N6O2
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.22737416
Names & identifiers
- Preferred name
- N3-{4-[4-Amino-2-(2-methoxyethyl)-1H-imidazo[4,5-c]quinolin-1-yl]butyl}-3-indolecarboxamide
- IUPAC
- N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-1H-indole-3-carboxamide
Names & synonyms
SCHEMBL3866105REIQQQHSEAYETN-UHFFFAOYSA-NN3-{4-[4-Amino-2-(2-methoxyethyl)-1H-imidazo[4,5-c]quinolin-1-yl]butyl}-3-indolecarboxamide
Database identifiers
- PubChem CID
- 23512697
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 680
Related reactions
3 records
Compound notes
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