2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C19H16F3N3O3 — CID 42955940

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O3/c1-11(12-5-4-6-13(9-12)19(20,21)22)23-16(26)10-25-17(27)14-7-2-3-8-15(14)24-18(25)28/h2-9,11H,10H2,1H3,(H,23,26)(H,24,28)
InChIKeyVOXIPJSSFORXBX-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.59
Rot. Bonds4

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 42955940) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID42955940
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3O3/c1-11(12-5-4-6-13(9-12)19(20,21)22)23-16(26)10-25-17(27)14-7-2-3-8-15(14)24-18(25)28/h2-9,11H,10H2,1H3,(H,23,26)(H,24,28)
InChIKeyVOXIPJSSFORXBX-UHFFFAOYSA-N
XLogP2.59
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288
(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate
CID 7692705
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78778352
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4903112
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119587740
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119587739
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103
2-[[2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 162909342
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 91636848
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide
CID 113195349

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 42955940) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CC(NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is VOXIPJSSFORXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-11(12-5-4-6-13(9-12)19(20,21)22)23-16(26)10-25-17(27)14-7-2-3-8-15(14)24-18(25)28/h2-9,11H,10H2,1H3,(H,23,26)(H,24,28).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 391.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 42955940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).