2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one

C15H8F4N2O2 — CID 168552407

IUPAC2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(F)cc2OC(F)(F)F)nc2ccccc12
InChIInChI=1S/C15H8F4N2O2/c16-8-5-6-10(12(7-8)23-15(17,18)19)13-20-11-4-2-1-3-9(11)14(22)21-13/h1-7H,(H,20,21,22)
InChIKeyIMMWOLHPSINLCG-UHFFFAOYSA-N
MW324.23 g/mol
LogP3.63
Rot. Bonds2

About 2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one

2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one (PubChem CID 168552407) has the molecular formula C15H8F4N2O2 and a molecular weight of 324.23 g/mol. Its IUPAC name is 2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
PubChem CID168552407
Molecular FormulaC15H8F4N2O2
Molecular Weight324.23 g/mol
Exact Mass324.05
IUPAC Name2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(F)cc2OC(F)(F)F)nc2ccccc12
InChIInChI=1S/C15H8F4N2O2/c16-8-5-6-10(12(7-8)23-15(17,18)19)13-20-11-4-2-1-3-9(11)14(22)21-13/h1-7H,(H,20,21,22)
InChIKeyIMMWOLHPSINLCG-UHFFFAOYSA-N
XLogP3.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one
CID 168553410
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
CID 168550701
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
2-[3,4-dichloro-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552724
2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552915
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-[3-bromo-2-hydroxy-5-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552884
2-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-3H-quinazolin-4-one
CID 168553277
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
CID 168552669
2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168552872
2-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551308

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one (CID 168552407) is 2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(F)cc2OC(F)(F)F)nc2ccccc12.
What is the InChIKey of 2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
The InChIKey is IMMWOLHPSINLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2O2/c16-8-5-6-10(12(7-8)23-15(17,18)19)13-20-11-4-2-1-3-9(11)14(22)21-13/h1-7H,(H,20,21,22).
What are the key properties of 2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one?
2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one has a molecular weight of 324.23 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168552407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).