Basic information
- Standard SMILES
Cc1cc2cccc(Nc3ccc4c(NCc5cccc6[nH]ccc56)cccc4n3)c2o1- InChIKey
PRULIPFRGUHDSI-UHFFFAOYSA-N- Molecular formula
- C27H22N4O
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.17936134
Names & identifiers
- Preferred name
- N5-(1H-Indol-4-ylmethyl)-N2-(2-methyl-benzofuran-7-yl)-quinoline-2,5-diamine
- IUPAC
- 5-N-(1H-indol-4-ylmethyl)-2-N-(2-methyl-1-benzofuran-7-yl)quinoline-2,5-diamine
Names & synonyms
SCHEMBL2901732PRULIPFRGUHDSI-UHFFFAOYSA-NN5-(1H-Indol-4-ylmethyl)-N2-(2-methyl-benzofuran-7-yl)-quinoline-2,5-diamine
Database identifiers
- PubChem CID
- 24990107
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 631
Related reactions
1 records
Compound notes
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