3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione

C11H9F3N2O3 — CID 117261194

IUPAC3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2c(=O)n1CCO
InChIInChI=1S/C11H9F3N2O3/c12-11(13,14)6-1-2-8-7(5-6)9(18)16(3-4-17)10(19)15-8/h1-2,5,17H,3-4H2,(H,15,19)
InChIKeyFQWMJPFZSWPHGH-UHFFFAOYSA-N
MW274.20 g/mol
LogP0.70
Rot. Bonds2

About 3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione

3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 117261194) has the molecular formula C11H9F3N2O3 and a molecular weight of 274.20 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID117261194
Molecular FormulaC11H9F3N2O3
Molecular Weight274.20 g/mol
Exact Mass274.06
IUPAC Name3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2c(=O)n1CCO
InChIInChI=1S/C11H9F3N2O3/c12-11(13,14)6-1-2-8-7(5-6)9(18)16(3-4-17)10(19)15-8/h1-2,5,17H,3-4H2,(H,15,19)
InChIKeyFQWMJPFZSWPHGH-UHFFFAOYSA-N
XLogP0.70
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 117261194) is 3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2ccc(C(F)(F)F)cc2c(=O)n1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is FQWMJPFZSWPHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3/c12-11(13,14)6-1-2-8-7(5-6)9(18)16(3-4-17)10(19)15-8/h1-2,5,17H,3-4H2,(H,15,19).
What are the key properties of 3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 274.20 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).