3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

C22H15F3N4O — CID 11538753

IUPAC3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNc1ncc2cc(-c3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)ccc2n1
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)17-5-2-6-18(11-17)28-20(30)15-4-1-3-13(9-15)14-7-8-19-16(10-14)12-27-21(26)29-19/h1-12H,(H,28,30)(H2,26,27,29)
InChIKeyCXKAZUAJKXLXMU-UHFFFAOYSA-N
MW408.38 g/mol
LogP5.15
Rot. Bonds3

About 3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide

3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 11538753) has the molecular formula C22H15F3N4O and a molecular weight of 408.38 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID11538753
Molecular FormulaC22H15F3N4O
Molecular Weight408.38 g/mol
Exact Mass408.12
IUPAC Name3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNc1ncc2cc(-c3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)ccc2n1
InChIInChI=1S/C22H15F3N4O/c23-22(24,25)17-5-2-6-18(11-17)28-20(30)15-4-1-3-13(9-15)14-7-8-19-16(10-14)12-27-21(26)29-19/h1-12H,(H,28,30)(H2,26,27,29)
InChIKeyCXKAZUAJKXLXMU-UHFFFAOYSA-N
XLogP5.15
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.38
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide 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 3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 11538753) is 3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is Nc1ncc2cc(-c3cccc(C(=O)Nc4cccc(C(F)(F)F)c4)c3)ccc2n1.
What is the InChIKey of 3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is CXKAZUAJKXLXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O/c23-22(24,25)17-5-2-6-18(11-17)28-20(30)15-4-1-3-13(9-15)14-7-8-19-16(10-14)12-27-21(26)29-19/h1-12H,(H,28,30)(H2,26,27,29).
What are the key properties of 3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide?
3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 408.38 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-6-yl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 11538753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).