4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline

C16H11F3N2O — CID 1475461

IUPAC4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline
SMILESCc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C16H11F3N2O/c1-10-6-8-11(9-7-10)22-14-12-4-2-3-5-13(12)20-15(21-14)16(17,18)19/h2-9H,1H3
InChIKeyPSILJPBDMCCERC-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.75
Rot. Bonds2

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

4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline (PubChem CID 1475461) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline
PubChem CID1475461
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline
SMILESCc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C16H11F3N2O/c1-10-6-8-11(9-7-10)22-14-12-4-2-3-5-13(12)20-15(21-14)16(17,18)19/h2-9H,1H3
InChIKeyPSILJPBDMCCERC-UHFFFAOYSA-N
XLogP4.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline (CID 1475461) is 4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline is Cc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline?
The InChIKey is PSILJPBDMCCERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c1-10-6-8-11(9-7-10)22-14-12-4-2-3-5-13(12)20-15(21-14)16(17,18)19/h2-9H,1H3.
What are the key properties of 4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline?
4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline has a molecular weight of 304.27 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 1475461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).