N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide

C23H18F3N5O3 — CID 71180482

IUPACN-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide
SMILESCNC(=O)COc1ccc2nc(-c3cccnc3)nc(Nc3cccc(OC(F)(F)F)c3)c2c1
InChIInChI=1S/C23H18F3N5O3/c1-27-20(32)13-33-16-7-8-19-18(11-16)22(31-21(30-19)14-4-3-9-28-12-14)29-15-5-2-6-17(10-15)34-23(24,25)26/h2-12H,13H2,1H3,(H,27,32)(H,29,30,31)
InChIKeyUNGCGZUQHPLSPH-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.46
Rot. Bonds7

About N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide

N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide (PubChem CID 71180482) has the molecular formula C23H18F3N5O3 and a molecular weight of 469.42 g/mol. Its IUPAC name is N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide
PubChem CID71180482
Molecular FormulaC23H18F3N5O3
Molecular Weight469.42 g/mol
Exact Mass469.14
IUPAC NameN-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide
SMILESCNC(=O)COc1ccc2nc(-c3cccnc3)nc(Nc3cccc(OC(F)(F)F)c3)c2c1
InChIInChI=1S/C23H18F3N5O3/c1-27-20(32)13-33-16-7-8-19-18(11-16)22(31-21(30-19)14-4-3-9-28-12-14)29-15-5-2-6-17(10-15)34-23(24,25)26/h2-12H,13H2,1H3,(H,27,32)(H,29,30,31)
InChIKeyUNGCGZUQHPLSPH-UHFFFAOYSA-N
XLogP4.46
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide 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 N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide?
The IUPAC name of N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide (CID 71180482) is N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide.
What is the SMILES notation for N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide?
The canonical SMILES for N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide is CNC(=O)COc1ccc2nc(-c3cccnc3)nc(Nc3cccc(OC(F)(F)F)c3)c2c1.
What is the InChIKey of N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide?
The InChIKey is UNGCGZUQHPLSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O3/c1-27-20(32)13-33-16-7-8-19-18(11-16)22(31-21(30-19)14-4-3-9-28-12-14)29-15-5-2-6-17(10-15)34-23(24,25)26/h2-12H,13H2,1H3,(H,27,32)(H,29,30,31).
What are the key properties of N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide?
N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide has a molecular weight of 469.42 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-pyridin-3-yl-4-[3-(trifluoromethoxy)anilino]quinazolin-6-yl]oxyacetamide is sourced from PubChem (CID 71180482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).