2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde

C17H10F3NO2 — CID 155927516

IUPAC2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde
SMILESO=Cc1cc2ccccc2nc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)13-5-7-14(8-6-13)23-16-12(10-22)9-11-3-1-2-4-15(11)21-16/h1-10H
InChIKeyUKWHYNVKIJXBPJ-UHFFFAOYSA-N
MW317.27 g/mol
LogP4.86
Rot. Bonds3

About 2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde

2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde (PubChem CID 155927516) has the molecular formula C17H10F3NO2 and a molecular weight of 317.27 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde
PubChem CID155927516
Molecular FormulaC17H10F3NO2
Molecular Weight317.27 g/mol
Exact Mass317.07
IUPAC Name2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde
SMILESO=Cc1cc2ccccc2nc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H10F3NO2/c18-17(19,20)13-5-7-14(8-6-13)23-16-12(10-22)9-11-3-1-2-4-15(11)21-16/h1-10H
InChIKeyUKWHYNVKIJXBPJ-UHFFFAOYSA-N
XLogP4.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(trifluoromethyl)phenoxy]quinoline-3-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 2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde?
The IUPAC name of 2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde (CID 155927516) is 2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde?
The canonical SMILES for 2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde is O=Cc1cc2ccccc2nc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde?
The InChIKey is UKWHYNVKIJXBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO2/c18-17(19,20)13-5-7-14(8-6-13)23-16-12(10-22)9-11-3-1-2-4-15(11)21-16/h1-10H.
What are the key properties of 2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde?
2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde has a molecular weight of 317.27 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenoxy]quinoline-3-carbaldehyde is sourced from PubChem (CID 155927516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).