2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one

C15H9F3N2O2 — CID 168552872

IUPAC2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc(OC(F)F)c2F)nc2ccccc12
InChIInChI=1S/C15H9F3N2O2/c16-12-9(5-3-7-11(12)22-15(17)18)13-19-10-6-2-1-4-8(10)14(21)20-13/h1-7,15H,(H,19,20,21)
InChIKeyOYAHPTFFPUZUCB-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.33
Rot. Bonds3

About 2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one

2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one (PubChem CID 168552872) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one
PubChem CID168552872
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccc(OC(F)F)c2F)nc2ccccc12
InChIInChI=1S/C15H9F3N2O2/c16-12-9(5-3-7-11(12)22-15(17)18)13-19-10-6-2-1-4-8(10)14(21)20-13/h1-7,15H,(H,19,20,21)
InChIKeyOYAHPTFFPUZUCB-UHFFFAOYSA-N
XLogP3.33
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one
CID 168511648
2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
CID 168552669
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168552014
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-fluoro-2-phenoxyphenyl)-3H-quinazolin-4-one
CID 168553410
2-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]-3H-quinazolin-4-one
CID 168553277
2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552407
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
CID 168550701
2-[2-(oxan-4-yloxy)phenyl]-3H-quinazolin-4-one
CID 168553090
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one (CID 168552872) is 2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2cccc(OC(F)F)c2F)nc2ccccc12.
What is the InChIKey of 2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one?
The InChIKey is OYAHPTFFPUZUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-12-9(5-3-7-11(12)22-15(17)18)13-19-10-6-2-1-4-8(10)14(21)20-13/h1-7,15H,(H,19,20,21).
What are the key properties of 2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one?
2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one has a molecular weight of 306.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168552872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).