Basic information
- CAS
1300031-54-2- Standard SMILES
Cc1nnc2c(NC(N)=O)cc3cc(-c4ccc(CN5CCCCC5)cc4)ccc3n12- InChIKey
LLPYLVLIVYIFNM-UHFFFAOYSA-N- Molecular formula
- C24H26N6O
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.21680947
Names & identifiers
- Preferred name
- N-[1-Methyl-7-[4-(1-piperidinylmethyl)phenyl][1,2,4]triazolo[4,3-a]quinolin-4-yl]urea
- IUPAC
- [1-methyl-7-[4-(piperidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinolin-4-yl]urea
Names & synonyms
SCHEMBL11909065SCHEMBL30473480DTXSID201127348N-[1-Methyl-7-[4-(1-piperidinylmethyl)phenyl][1,2,4]triazolo[4,3-a]quinolin-4-yl]urea1300031-54-2N-(1-Methyl-7-{4-[(piperidin-1-yl)methyl]phenyl}[1,2,4]triazolo[4,3-a]quinolin-4-yl)urea
Database identifiers
- CAS
1300031-54-2- PubChem CID
- 52936062
- DTXSID
DTXSID201127348
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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