Basic information
- Standard SMILES
COc1cc2c(Nc3ccc4c(c3)NCC4)c(C#N)cnc2cc1OCc1ccccc1- InChIKey
RKXZGFHWKOWSRT-UHFFFAOYSA-N- Molecular formula
- C26H22N4O2
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.17427596
Names & identifiers
- Preferred name
- 7-benzyloxy-4-(2,3-dihydro-1H-indol-6-ylamino)-6-methoxy-quinoline-3-carbonitrile
- IUPAC
- 4-(2,3-dihydro-1H-indol-6-ylamino)-6-methoxy-7-phenylmethoxyquinoline-3-carbonitrile
Names & synonyms
SCHEMBL6997360RKXZGFHWKOWSRT-UHFFFAOYSA-N7-benzyloxy-4-(2,3-dihydro-1H-indol-6-ylamino)-6-methoxy-quinoline-3-carbonitrile
Database identifiers
- PubChem CID
- 21704817
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 659
Related reactions
3 records
Compound notes
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