6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one

C21H13F3N2O2 — CID 71713478

IUPAC6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
SMILESO=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C21H13F3N2O2/c22-13-8-18(23)17(19(24)9-13)11-26-12-25-21(27)16-10-15(6-7-20(16)26)28-14-4-2-1-3-5-14/h1-10,12H,11H2
InChIKeyGHEYOGVISLXBDC-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.65
Rot. Bonds4

About 6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one

6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one (PubChem CID 71713478) has the molecular formula C21H13F3N2O2 and a molecular weight of 382.34 g/mol. Its IUPAC name is 6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
PubChem CID71713478
Molecular FormulaC21H13F3N2O2
Molecular Weight382.34 g/mol
Exact Mass382.09
IUPAC Name6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one
SMILESO=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C21H13F3N2O2/c22-13-8-18(23)17(19(24)9-13)11-26-12-25-21(27)16-10-15(6-7-20(16)26)28-14-4-2-1-3-5-14/h1-10,12H,11H2
InChIKeyGHEYOGVISLXBDC-UHFFFAOYSA-N
XLogP4.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one (CID 71713478) is 6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one is O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3ccccc3)cc12.
What is the InChIKey of 6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one?
The InChIKey is GHEYOGVISLXBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O2/c22-13-8-18(23)17(19(24)9-13)11-26-12-25-21(27)16-10-15(6-7-20(16)26)28-14-4-2-1-3-5-14/h1-10,12H,11H2.
What are the key properties of 6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one?
6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one has a molecular weight of 382.34 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-1-[(2,4,6-trifluorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 71713478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).