N-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide

C19H14F5N3O2 — CID 70838419

IUPACN-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide
SMILESCCc1nc2c(C(F)(F)F)cccc2c(=O)n1NC(=O)C(F)(F)c1ccccc1
InChIInChI=1S/C19H14F5N3O2/c1-2-14-25-15-12(9-6-10-13(15)19(22,23)24)16(28)27(14)26-17(29)18(20,21)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,26,29)
InChIKeyMDKRTUJEXMERCW-UHFFFAOYSA-N
MW411.33 g/mol
LogP3.84
Rot. Bonds4

About N-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide

N-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide (PubChem CID 70838419) has the molecular formula C19H14F5N3O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is N-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide
PubChem CID70838419
Molecular FormulaC19H14F5N3O2
Molecular Weight411.33 g/mol
Exact Mass411.10
IUPAC NameN-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide
SMILESCCc1nc2c(C(F)(F)F)cccc2c(=O)n1NC(=O)C(F)(F)c1ccccc1
InChIInChI=1S/C19H14F5N3O2/c1-2-14-25-15-12(9-6-10-13(15)19(22,23)24)16(28)27(14)26-17(29)18(20,21)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,26,29)
InChIKeyMDKRTUJEXMERCW-UHFFFAOYSA-N
XLogP3.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide 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-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide?
The IUPAC name of N-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide (CID 70838419) is N-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide.
What is the SMILES notation for N-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide?
The canonical SMILES for N-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide is CCc1nc2c(C(F)(F)F)cccc2c(=O)n1NC(=O)C(F)(F)c1ccccc1.
What is the InChIKey of N-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide?
The InChIKey is MDKRTUJEXMERCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O2/c1-2-14-25-15-12(9-6-10-13(15)19(22,23)24)16(28)27(14)26-17(29)18(20,21)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,26,29).
What are the key properties of N-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide?
N-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide has a molecular weight of 411.33 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-oxo-8-(trifluoromethyl)quinazolin-3-yl]-2,2-difluoro-2-phenylacetamide is sourced from PubChem (CID 70838419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).