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Basic information
- Standard SMILES
Cl.Cl.NCCN(Cc1ccc(Cl)cc1)C(=O)C1CCN(c2ncnc3ccccc23)CC1- InChIKey
WMRIIZOZVMCZDV-UHFFFAOYSA-N- Molecular formula
- C23H28Cl3N5O
- Average molar mass
- 496.9 g/mol
- Monoisotopic mass
- 495.135944
Names & identifiers
- Preferred name
- 1-Quinazolin-4-yl-piperidine-4-carboxylic acid (2-amino-ethyl)-(4-chlorobenzyl)-amide dihydrochloride
- IUPAC
- N-(2-aminoethyl)-N-[(4-chlorophenyl)methyl]-1-quinazolin-4-ylpiperidine-4-carboxamide;dihydrochloride
Names & synonyms
WMRIIZOZVMCZDV-UHFFFAOYSA-N1-quinazolin-4-yl-piperidine-4-carboxylic acid (2-amino-ethyl)-(4-chlorobenzyl)-amide dihydrochloride
Database identifiers
- PubChem CID
- 86643154
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 548
Related reactions
1 records
Compound notes
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