4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline

C17H13F3N2O — CID 1475460

IUPAC4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline
SMILESCc1cc(C)cc(Oc2nc(C(F)(F)F)nc3ccccc23)c1
InChIInChI=1S/C17H13F3N2O/c1-10-7-11(2)9-12(8-10)23-15-13-5-3-4-6-14(13)21-16(22-15)17(18,19)20/h3-9H,1-2H3
InChIKeyGLUSVUBHNLVTES-UHFFFAOYSA-N
MW318.30 g/mol
LogP5.06
Rot. Bonds2

About 4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline

4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline (PubChem CID 1475460) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline
PubChem CID1475460
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline
SMILESCc1cc(C)cc(Oc2nc(C(F)(F)F)nc3ccccc23)c1
InChIInChI=1S/C17H13F3N2O/c1-10-7-11(2)9-12(8-10)23-15-13-5-3-4-6-14(13)21-16(22-15)17(18,19)20/h3-9H,1-2H3
InChIKeyGLUSVUBHNLVTES-UHFFFAOYSA-N
XLogP5.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.30
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline (CID 1475460) is 4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline is Cc1cc(C)cc(Oc2nc(C(F)(F)F)nc3ccccc23)c1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline?
The InChIKey is GLUSVUBHNLVTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-10-7-11(2)9-12(8-10)23-15-13-5-3-4-6-14(13)21-16(22-15)17(18,19)20/h3-9H,1-2H3.
What are the key properties of 4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline?
4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline has a molecular weight of 318.30 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 1475460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).