1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone

C17H11F3N2O2S — CID 9308166

IUPAC1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone
SMILESO=C(CSc1nc(C(F)(F)F)nc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)16-21-13-4-2-1-3-12(13)15(22-16)25-9-14(24)10-5-7-11(23)8-6-10/h1-8,23H,9H2
InChIKeySUGDNICGHHFLHJ-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.33
Rot. Bonds4

About 1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone

1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone (PubChem CID 9308166) has the molecular formula C17H11F3N2O2S and a molecular weight of 364.35 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone
PubChem CID9308166
Molecular FormulaC17H11F3N2O2S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC Name1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone
SMILESO=C(CSc1nc(C(F)(F)F)nc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)16-21-13-4-2-1-3-12(13)15(22-16)25-9-14(24)10-5-7-11(23)8-6-10/h1-8,23H,9H2
InChIKeySUGDNICGHHFLHJ-UHFFFAOYSA-N
XLogP4.33
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone?
The IUPAC name of 1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone (CID 9308166) is 1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone is O=C(CSc1nc(C(F)(F)F)nc2ccccc12)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone?
The InChIKey is SUGDNICGHHFLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2S/c18-17(19,20)16-21-13-4-2-1-3-12(13)15(22-16)25-9-14(24)10-5-7-11(23)8-6-10/h1-8,23H,9H2.
What are the key properties of 1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone?
1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone has a molecular weight of 364.35 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone is sourced from PubChem (CID 9308166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).