2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one

C15H7F5N2O2 — CID 168552915

IUPAC2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2c(F)ccc(F)c2OC(F)(F)F)nc2ccccc12
InChIInChI=1S/C15H7F5N2O2/c16-8-5-6-9(17)12(24-15(18,19)20)11(8)13-21-10-4-2-1-3-7(10)14(23)22-13/h1-6H,(H,21,22,23)
InChIKeyCUZCUFPNWJAHRS-UHFFFAOYSA-N
MW342.22 g/mol
LogP3.77
Rot. Bonds2

About 2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one

2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one (PubChem CID 168552915) has the molecular formula C15H7F5N2O2 and a molecular weight of 342.22 g/mol. Its IUPAC name is 2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
PubChem CID168552915
Molecular FormulaC15H7F5N2O2
Molecular Weight342.22 g/mol
Exact Mass342.04
IUPAC Name2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2c(F)ccc(F)c2OC(F)(F)F)nc2ccccc12
InChIInChI=1S/C15H7F5N2O2/c16-8-5-6-9(17)12(24-15(18,19)20)11(8)13-21-10-4-2-1-3-7(10)14(23)22-13/h1-6H,(H,21,22,23)
InChIKeyCUZCUFPNWJAHRS-UHFFFAOYSA-N
XLogP3.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168552940
2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551002
2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552407
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 168553324
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552724
2-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-3H-quinazolin-4-one
CID 168553277
2-[3-bromo-2-hydroxy-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552884
2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168550858

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one (CID 168552915) is 2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2c(F)ccc(F)c2OC(F)(F)F)nc2ccccc12.
What is the InChIKey of 2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
The InChIKey is CUZCUFPNWJAHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F5N2O2/c16-8-5-6-9(17)12(24-15(18,19)20)11(8)13-21-10-4-2-1-3-7(10)14(23)22-13/h1-6H,(H,21,22,23).
What are the key properties of 2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one has a molecular weight of 342.22 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168552915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).