2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C16H17F3N4O4 — CID 55812305

IUPAC2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NCC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C16H17F3N4O4/c1-2-22-14(26)10-5-3-4-6-11(10)23(15(22)27)8-13(25)20-7-12(24)21-9-16(17,18)19/h3-6H,2,7-9H2,1H3,(H,20,25)(H,21,24)
InChIKeyZBEUNOCYXBYSQW-UHFFFAOYSA-N
MW386.33 g/mol
LogP-0.02
Rot. Bonds6

About 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55812305) has the molecular formula C16H17F3N4O4 and a molecular weight of 386.33 g/mol. Its IUPAC name is 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55812305
Molecular FormulaC16H17F3N4O4
Molecular Weight386.33 g/mol
Exact Mass386.12
IUPAC Name2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCn1c(=O)c2ccccc2n(CC(=O)NCC(=O)NCC(F)(F)F)c1=O
InChIInChI=1S/C16H17F3N4O4/c1-2-22-14(26)10-5-3-4-6-11(10)23(15(22)27)8-13(25)20-7-12(24)21-9-16(17,18)19/h3-6H,2,7-9H2,1H3,(H,20,25)(H,21,24)
InChIKeyZBEUNOCYXBYSQW-UHFFFAOYSA-N
XLogP-0.02
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 26660566
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-prop-2-enylacetamide
CID 9400092
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55900388
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 9490192
methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate
CID 46584638
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide
CID 55782744
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51248297
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 24647639
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6502232

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 55812305) is 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is CCn1c(=O)c2ccccc2n(CC(=O)NCC(=O)NCC(F)(F)F)c1=O.
What is the InChIKey of 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZBEUNOCYXBYSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O4/c1-2-22-14(26)10-5-3-4-6-11(10)23(15(22)27)8-13(25)20-7-12(24)21-9-16(17,18)19/h3-6H,2,7-9H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 386.33 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55812305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).