2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one

C17H9F3N2O2 — CID 135925291

IUPAC2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc3ccccc3o2)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C17H9F3N2O2/c18-17(19,20)10-5-6-12-11(8-10)16(23)22-15(21-12)14-7-9-3-1-2-4-13(9)24-14/h1-8H,(H,21,22,23)
InChIKeyJKXLFKLBAFWNLS-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.36
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one

2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one (PubChem CID 135925291) has the molecular formula C17H9F3N2O2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one
PubChem CID135925291
Molecular FormulaC17H9F3N2O2
Molecular Weight330.27 g/mol
Exact Mass330.06
IUPAC Name2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc3ccccc3o2)nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C17H9F3N2O2/c18-17(19,20)10-5-6-12-11(8-10)16(23)22-15(21-12)14-7-9-3-1-2-4-13(9)24-14/h1-8H,(H,21,22,23)
InChIKeyJKXLFKLBAFWNLS-UHFFFAOYSA-N
XLogP4.36
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one (CID 135925291) is 2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2cc3ccccc3o2)nc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one?
The InChIKey is JKXLFKLBAFWNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N2O2/c18-17(19,20)10-5-6-12-11(8-10)16(23)22-15(21-12)14-7-9-3-1-2-4-13(9)24-14/h1-8H,(H,21,22,23).
What are the key properties of 2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one?
2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one has a molecular weight of 330.27 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-6-(trifluoromethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135925291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).