(S)-1-(4-Aminoquinolin-7-ylmethyl)-4-[3-(5-chlorothiophen-2-yl)-allyl]-3-methylpiperazin-2-one
Basic information
- Standard SMILES
C[C@H]1C(=O)N(Cc2ccc3c(N)ccnc3c2)CCN1CC=Cc1ccc(Cl)s1- InChIKey
UAJWKDGTGSONST-HNNXBMFYSA-N- Molecular formula
- C22H23ClN4OS
- Average molar mass
- 427 g/mol
- Monoisotopic mass
- 426.1281102
Names & identifiers
- Preferred name
- (S)-1-(4-Aminoquinolin-7-ylmethyl)-4-[3-(5-chlorothiophen-2-yl)-allyl]-3-methylpiperazin-2-one
- IUPAC
- (3S)-1-[(4-aminoquinolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-3-methylpiperazin-2-one
Names & synonyms
SCHEMBL1652219UAJWKDGTGSONST-HNNXBMFYSA-N(S)-1-(4-Aminoquinolin-7-ylmethyl)-4-[3-(5-chlorothiophen-2-yl)-allyl]-3-methylpiperazin-2-one
Database identifiers
- PubChem CID
- 54343133
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 605
Related reactions
1 records
Compound notes
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