Basic information
- Standard SMILES
Nc1ccc(-c2cc3c(N4CCCc5ccccc54)ncnc3[nH]2)cc1- InChIKey
UPCODGKQZAKIAC-UHFFFAOYSA-N- Molecular formula
- C21H19N5
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.16404563
Names & identifiers
- Preferred name
- 4-(1,2,3,4-Tetrahydroquinolin-1-yl)-6-(4amino-phenyl)-7H-pyrrolo[2.3-d]-pyrimidine
- IUPAC
- 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]aniline
Names & synonyms
SCHEMBL7495638UPCODGKQZAKIAC-UHFFFAOYSA-NPD1299174-(1,2,3,4-Tetrahydroquinolin-1-yl)-6-(4amino-phenyl)-7H-pyrrolo[2.3-d]-pyrimidine
Database identifiers
- PubChem CID
- 9862831
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 477
Related reactions
1 records
Compound notes
Loading…