Basic information
- Standard SMILES
Cc1ccc2ncc(N)c(Nc3ccc(C(C)(C)C#N)cc3)c2c1- InChIKey
NMELJVMENNJAAP-UHFFFAOYSA-N- Molecular formula
- C20H20N4
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.16879665
Names & identifiers
- Preferred name
- 2-(4-(3-Amino-6-methyl-quinolin-4-ylamino)phenyl)-2-methylpropanenitrile
- IUPAC
- 2-[4-[(3-amino-6-methylquinolin-4-yl)amino]phenyl]-2-methylpropanenitrile
Names & synonyms
SCHEMBL1025549NMELJVMENNJAAP-UHFFFAOYSA-N2-(4-(3-Amino-6-methyl-quinolin-4-ylamino)phenyl)-2-methyl propanenitrile2-(4-(3-amino-6-methyl-quinolin-4-ylamino)phenyl)-2-methylpropanenitrile
Database identifiers
- PubChem CID
- 66880423
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 471
Related reactions
2 records
Compound notes
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