2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline

C21H13F3N2O — CID 155556108

IUPAC2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline
SMILESFC(F)(F)c1cccc(Oc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C21H13F3N2O/c22-21(23,24)15-9-6-10-16(13-15)27-20-17-11-4-5-12-18(17)25-19(26-20)14-7-2-1-3-8-14/h1-13H
InChIKeyUURLHJCMTOHEFA-UHFFFAOYSA-N
MW366.34 g/mol
LogP6.11
Rot. Bonds3

About 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline

2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline (PubChem CID 155556108) has the molecular formula C21H13F3N2O and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline.

Molecular Properties

Compound Name2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline
PubChem CID155556108
Molecular FormulaC21H13F3N2O
Molecular Weight366.34 g/mol
Exact Mass366.10
IUPAC Name2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline
SMILESFC(F)(F)c1cccc(Oc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C21H13F3N2O/c22-21(23,24)15-9-6-10-16(13-15)27-20-17-11-4-5-12-18(17)25-19(26-20)14-7-2-1-3-8-14/h1-13H
InChIKeyUURLHJCMTOHEFA-UHFFFAOYSA-N
XLogP6.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.34
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline?
The IUPAC name of 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline (CID 155556108) is 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline.
What is the SMILES notation for 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline?
The canonical SMILES for 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline is FC(F)(F)c1cccc(Oc2nc(-c3ccccc3)nc3ccccc23)c1.
What is the InChIKey of 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline?
The InChIKey is UURLHJCMTOHEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O/c22-21(23,24)15-9-6-10-16(13-15)27-20-17-11-4-5-12-18(17)25-19(26-20)14-7-2-1-3-8-14/h1-13H.
What are the key properties of 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline?
2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline has a molecular weight of 366.34 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline is sourced from PubChem (CID 155556108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).