Basic information
- Standard SMILES
CC1(C)CC(=O)Nc2cc(NC(=O)c3ccccc3NCc3c[nH]c4ncccc34)ccc21- InChIKey
CSHSNWTUSFJRBM-UHFFFAOYSA-N- Molecular formula
- C26H25N5O2
- Average molar mass
- 439.5 g/mol
Names & identifiers
- Preferred name
- N-(4,4-Dimethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)-2[(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-amino]-benzamide
- IUPAC
- N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-7-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)benzamide
Names & synonyms
SCHEMBL5626264CSHSNWTUSFJRBM-UHFFFAOYSA-NN-(4,4-Dimethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)-2[(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-amino]-benzamide
Database identifiers
- PubChem CID
- 10071896
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 727
Related reactions
2 records
Compound notes
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