4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide

C12H10F3N3O — CID 43669871

IUPAC4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1OCC(F)(F)F
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)6-19-10-7-3-1-2-4-9(7)18-5-8(10)11(16)17/h1-5H,6H2,(H3,16,17)
InChIKeyUJVLKMFHXPXMDX-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.46
Rot. Bonds3

About 4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide

4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide (PubChem CID 43669871) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide
PubChem CID43669871
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc2ccccc2c1OCC(F)(F)F
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)6-19-10-7-3-1-2-4-9(7)18-5-8(10)11(16)17/h1-5H,6H2,(H3,16,17)
InChIKeyUJVLKMFHXPXMDX-UHFFFAOYSA-N
XLogP2.46
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide 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 4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide (CID 43669871) is 4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide is [H]/N=C(\N)c1cnc2ccccc2c1OCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide?
The InChIKey is UJVLKMFHXPXMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)6-19-10-7-3-1-2-4-9(7)18-5-8(10)11(16)17/h1-5H,6H2,(H3,16,17).
What are the key properties of 4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide?
4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide has a molecular weight of 269.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)quinoline-3-carboximidamide is sourced from PubChem (CID 43669871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).