3-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enoic acid
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Basic information
- Standard SMILES
O=C(O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1- InChIKey
SCZDBBQTNGPBQR-UHFFFAOYSA-N- Molecular formula
- C21H16FNO2
- Average molar mass
- 333.4 g/mol
Names & identifiers
- Preferred name
- 3-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enoic acid
- IUPAC
- 3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enoic acid
Names & synonyms
SCHEMBL6283365
Database identifiers
- PubChem CID
- 69732148
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 510
Related reactions
2 records
Compound notes
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