2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C12H10F3N3O3 — CID 74648513

IUPAC2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)N=C2C=CC=CC2C1=O)NCC(F)(F)F
InChIInChI=1S/C12H10F3N3O3/c13-12(14,15)6-16-9(19)5-18-10(20)7-3-1-2-4-8(7)17-11(18)21/h1-4,7H,5-6H2,(H,16,19)
InChIKeyAEONXDFRGAGJPK-UHFFFAOYSA-N
MW301.22 g/mol
LogP0.81
Rot. Bonds3

About 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 74648513) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID74648513
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC Name2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1C(=O)N=C2C=CC=CC2C1=O)NCC(F)(F)F
InChIInChI=1S/C12H10F3N3O3/c13-12(14,15)6-16-9(19)5-18-10(20)7-3-1-2-4-8(7)17-11(18)21/h1-4,7H,5-6H2,(H,16,19)
InChIKeyAEONXDFRGAGJPK-UHFFFAOYSA-N
XLogP0.81
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 74648513) is 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1C(=O)N=C2C=CC=CC2C1=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AEONXDFRGAGJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c13-12(14,15)6-16-9(19)5-18-10(20)7-3-1-2-4-8(7)17-11(18)21/h1-4,7H,5-6H2,(H,16,19).
What are the key properties of 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 301.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 74648513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).