Basic information
- CAS
352678-95-6- Standard SMILES
Cc1ccccc1-c1cc(C(=O)Nn2cnnc2)c2ccccc2n1- InChIKey
AHEGRRMDTZEFJM-UHFFFAOYSA-N- Molecular formula
- C19H15N5O
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.12766012
Names & identifiers
- Preferred name
- 2-(2-Methylphenyl)-N-4H-1,2,4-triazol-4-yl-4-quinolinecarboxamide
- IUPAC
- 2-(2-methylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
Names & synonyms
352678-95-62-(2-Methylphenyl)-N-4H-1,2,4-triazol-4-yl-4-quinolinecarboxamideRefChem:2509082-(2-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)-4-quinolinecarboxamide2-(2-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)quinoline-4-carboxamide2-(2-methylphenyl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamideCHEMBL5027645DTXSID101168880STK422876AKOS003254252ST50916270AK-968/11987475
Show more names
SR-01000217637SR-01000217637-1[2-(2-methylphenyl)(4-quinolyl)]-N-(1,2,4-triazol-4-yl)carboxamide
Database identifiers
- CAS
352678-95-6- PubChem CID
- 868898
- DTXSID
DTXSID101168880- ChEMBL
CHEMBL5027645
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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