Basic information
- Standard SMILES
O=C(c1ccc(OCCCCCBr)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1- InChIKey
VQFFVXSFLLGLJN-UHFFFAOYSA-N- Molecular formula
- C26H31BrN2O3
- Average molar mass
- 499.4 g/mol
- Monoisotopic mass
- 498.15181
Names & identifiers
- Preferred name
- 1-{1-[4-(5-Bromopentyloxy)benzoyl]-4-piperidinyl}-3,4-dihydrocarbostyril
- IUPAC
- 1-[1-[4-(5-bromopentoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
Names & synonyms
SCHEMBL7282649VQFFVXSFLLGLJN-UHFFFAOYSA-N1-{1-[4-(5-Bromopentyloxy)benzoyl]-4-piperidinyl}-3,4-dihydrocarbostyril
Database identifiers
- PubChem CID
- 18960752
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 614
Related reactions
2 records
Compound notes
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