2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid

C17H12F3N3O2 — CID 2992248

IUPAC2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid
SMILESO=C(O)C(Nc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)16-21-12-9-5-4-8-11(12)14(23-16)22-13(15(24)25)10-6-2-1-3-7-10/h1-9,13H,(H,24,25)(H,21,22,23)
InChIKeyZPSCGBCFUMEHEO-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.89
Rot. Bonds4

About 2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid

2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid (PubChem CID 2992248) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid
PubChem CID2992248
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid
SMILESO=C(O)C(Nc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)16-21-12-9-5-4-8-11(12)14(23-16)22-13(15(24)25)10-6-2-1-3-7-10/h1-9,13H,(H,24,25)(H,21,22,23)
InChIKeyZPSCGBCFUMEHEO-UHFFFAOYSA-N
XLogP3.89
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid 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-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid?
The IUPAC name of 2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid (CID 2992248) is 2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid?
The canonical SMILES for 2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid is O=C(O)C(Nc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid?
The InChIKey is ZPSCGBCFUMEHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)16-21-12-9-5-4-8-11(12)14(23-16)22-13(15(24)25)10-6-2-1-3-7-10/h1-9,13H,(H,24,25)(H,21,22,23).
What are the key properties of 2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid?
2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid has a molecular weight of 347.30 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]acetic acid is sourced from PubChem (CID 2992248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).