2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline

C18H15F3N2O — CID 23196606

IUPAC2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline
SMILESFC(F)(F)c1cccc(CCCOc2ncc3ccccc3n2)c1
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)15-8-3-5-13(11-15)6-4-10-24-17-22-12-14-7-1-2-9-16(14)23-17/h1-3,5,7-9,11-12H,4,6,10H2
InChIKeyXZVJISAMDWJPQD-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.66
Rot. Bonds5

About 2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline

2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline (PubChem CID 23196606) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline.

Molecular Properties

Compound Name2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline
PubChem CID23196606
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline
SMILESFC(F)(F)c1cccc(CCCOc2ncc3ccccc3n2)c1
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)15-8-3-5-13(11-15)6-4-10-24-17-22-12-14-7-1-2-9-16(14)23-17/h1-3,5,7-9,11-12H,4,6,10H2
InChIKeyXZVJISAMDWJPQD-UHFFFAOYSA-N
XLogP4.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline 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-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline?
The IUPAC name of 2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline (CID 23196606) is 2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline.
What is the SMILES notation for 2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline?
The canonical SMILES for 2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline is FC(F)(F)c1cccc(CCCOc2ncc3ccccc3n2)c1.
What is the InChIKey of 2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline?
The InChIKey is XZVJISAMDWJPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c19-18(20,21)15-8-3-5-13(11-15)6-4-10-24-17-22-12-14-7-1-2-9-16(14)23-17/h1-3,5,7-9,11-12H,4,6,10H2.
What are the key properties of 2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline?
2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline has a molecular weight of 332.33 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(trifluoromethyl)phenyl]propoxy]quinazoline is sourced from PubChem (CID 23196606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).