Basic information
- CAS
72042-06-9- Standard SMILES
Cc1cc(NC(=NC(C)(C)C)Nc2ccccc2)c2ccccc2n1- InChIKey
DCBOXOCZKNAJAO-UHFFFAOYSA-N- Molecular formula
- C21H24N4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.20009678
Names & identifiers
- Preferred name
- Guanidine, 1-tert-butyl-2-(2-methyl-4-quinolyl)-3-phenyl-
- IUPAC
- 2-tert-butyl-1-(2-methylquinolin-4-yl)-3-phenylguanidine
Names & synonyms
1-tert-Butyl-2-(2-methyl-4-quinolyl)-3-phenylguanidineBRN 558612872042-06-9GUANIDINE, 1-tert-BUTYL-2-(2-METHYL-4-QUINOLYL)-3-PHENYL-DTXSID00222366RefChem:346910DTXCID00144857CHEMBL61391N''-tert-Butyl-N-(2-methylquinolin-4-yl)-N'-phenylguanidine
Database identifiers
- CAS
72042-06-9- PubChem CID
- 51529
- DTXSID
DTXSID00222366- ChEMBL
CHEMBL61391- Nikkaji
- J78.444C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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