2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde

C18H14FNO — CID 15125346

IUPAC2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde
SMILESCCc1nc2ccccc2c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C18H14FNO/c1-2-16-15(11-21)18(12-7-9-13(19)10-8-12)14-5-3-4-6-17(14)20-16/h3-11H,2H2,1H3
InChIKeySXPMUXSIRQJQDV-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.42
Rot. Bonds3

About 2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde

2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde (PubChem CID 15125346) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde
PubChem CID15125346
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde
SMILESCCc1nc2ccccc2c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C18H14FNO/c1-2-16-15(11-21)18(12-7-9-13(19)10-8-12)14-5-3-4-6-17(14)20-16/h3-11H,2H2,1H3
InChIKeySXPMUXSIRQJQDV-UHFFFAOYSA-N
XLogP4.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde?
The IUPAC name of 2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde (CID 15125346) is 2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde.
What is the SMILES notation for 2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde?
The canonical SMILES for 2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde is CCc1nc2ccccc2c(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde?
The InChIKey is SXPMUXSIRQJQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c1-2-16-15(11-21)18(12-7-9-13(19)10-8-12)14-5-3-4-6-17(14)20-16/h3-11H,2H2,1H3.
What are the key properties of 2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde?
2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde has a molecular weight of 279.31 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde is sourced from PubChem (CID 15125346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).