Basic information
- Standard SMILES
Cl.O=C1CCc2ccc(OCCCCN3CCC(c4noc5ccccc45)CC3)cc2N1- InChIKey
WQLABZZVDIRKEN-UHFFFAOYSA-N- Molecular formula
- C25H30ClN3O3
- Average molar mass
- 456 g/mol
- Monoisotopic mass
- 455.1975695
Names & identifiers
- Preferred name
- 7-[4-(4-benzisoxazolyl-1-piperidinyl)-butoxy]-3,4-dihydro-2(1H)-quinolinone hydrochloride
- IUPAC
- 7-[4-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
Names & synonyms
SCHEMBL1835478WQLABZZVDIRKEN-UHFFFAOYSA-N7-[4-(4-benzisoxazolyl-1-piperidinyl)-butoxy]-3,4-dihydro-2(1H)-quinolinone hydrochloride
Database identifiers
- PubChem CID
- 67178756
Properties
Computed structural properties
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 595
Related reactions
1 records
Compound notes
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