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

C14H9F3N2O3 — CID 117261441

IUPAC3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2c(=O)n1Cc1ccco1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)8-3-4-11-10(6-8)12(20)19(13(21)18-11)7-9-2-1-5-22-9/h1-6H,7H2,(H,18,21)
InChIKeyQFAPKOXYEZSDNR-UHFFFAOYSA-N
MW310.23 g/mol
LogP2.35
Rot. Bonds2

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

3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 117261441) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID117261441
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2c(=O)n1Cc1ccco1
InChIInChI=1S/C14H9F3N2O3/c15-14(16,17)8-3-4-11-10(6-8)12(20)19(13(21)18-11)7-9-2-1-5-22-9/h1-6H,7H2,(H,18,21)
InChIKeyQFAPKOXYEZSDNR-UHFFFAOYSA-N
XLogP2.35
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 117261441) is 3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2ccc(C(F)(F)F)cc2c(=O)n1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is QFAPKOXYEZSDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c15-14(16,17)8-3-4-11-10(6-8)12(20)19(13(21)18-11)7-9-2-1-5-22-9/h1-6H,7H2,(H,18,21).
What are the key properties of 3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione?
3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 310.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-6-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).