5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde

C24H24FNO — CID 89096618

IUPAC5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(CCC3CCCCC3)c(F)c2)c2cccnc12
InChIInChI=1S/C24H24FNO/c25-23-15-19(11-10-18(23)9-8-17-5-2-1-3-6-17)21-13-12-20(16-27)24-22(21)7-4-14-26-24/h4,7,10-17H,1-3,5-6,8-9H2
InChIKeySRYURSBDJMYTOQ-UHFFFAOYSA-N
MW361.46 g/mol
LogP6.37
Rot. Bonds5

About 5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde

5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde (PubChem CID 89096618) has the molecular formula C24H24FNO and a molecular weight of 361.46 g/mol. Its IUPAC name is 5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde.

Molecular Properties

Compound Name5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde
PubChem CID89096618
Molecular FormulaC24H24FNO
Molecular Weight361.46 g/mol
Exact Mass361.18
IUPAC Name5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(CCC3CCCCC3)c(F)c2)c2cccnc12
InChIInChI=1S/C24H24FNO/c25-23-15-19(11-10-18(23)9-8-17-5-2-1-3-6-17)21-13-12-20(16-27)24-22(21)7-4-14-26-24/h4,7,10-17H,1-3,5-6,8-9H2
InChIKeySRYURSBDJMYTOQ-UHFFFAOYSA-N
XLogP6.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.46
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde?
The IUPAC name of 5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde (CID 89096618) is 5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde.
What is the SMILES notation for 5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde?
The canonical SMILES for 5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde is O=Cc1ccc(-c2ccc(CCC3CCCCC3)c(F)c2)c2cccnc12.
What is the InChIKey of 5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde?
The InChIKey is SRYURSBDJMYTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO/c25-23-15-19(11-10-18(23)9-8-17-5-2-1-3-6-17)21-13-12-20(16-27)24-22(21)7-4-14-26-24/h4,7,10-17H,1-3,5-6,8-9H2.
What are the key properties of 5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde?
5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde has a molecular weight of 361.46 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyclohexylethyl)-3-fluorophenyl]quinoline-8-carbaldehyde is sourced from PubChem (CID 89096618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).