4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline

C16H11F3N2O2 — CID 1475438

IUPAC4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline
SMILESCOc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C16H11F3N2O2/c1-22-10-6-8-11(9-7-10)23-14-12-4-2-3-5-13(12)20-15(21-14)16(17,18)19/h2-9H,1H3
InChIKeyUOQKUUTWLBEAIW-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.45
Rot. Bonds3

About 4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline

4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline (PubChem CID 1475438) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline
PubChem CID1475438
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline
SMILESCOc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C16H11F3N2O2/c1-22-10-6-8-11(9-7-10)23-14-12-4-2-3-5-13(12)20-15(21-14)16(17,18)19/h2-9H,1H3
InChIKeyUOQKUUTWLBEAIW-UHFFFAOYSA-N
XLogP4.45
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline (CID 1475438) is 4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline is COc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline?
The InChIKey is UOQKUUTWLBEAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-22-10-6-8-11(9-7-10)23-14-12-4-2-3-5-13(12)20-15(21-14)16(17,18)19/h2-9H,1H3.
What are the key properties of 4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline?
4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline has a molecular weight of 320.27 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 1475438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).