7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one

C15H8F4N2O — CID 121004988

IUPAC7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H8F4N2O/c16-10-3-6-12-13(7-10)20-8-21(14(12)22)11-4-1-9(2-5-11)15(17,18)19/h1-8H
InChIKeyUGCVISKMHNFOEJ-UHFFFAOYSA-N
MW308.23 g/mol
LogP3.54
Rot. Bonds1

About 7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one

7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one (PubChem CID 121004988) has the molecular formula C15H8F4N2O and a molecular weight of 308.23 g/mol. Its IUPAC name is 7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
PubChem CID121004988
Molecular FormulaC15H8F4N2O
Molecular Weight308.23 g/mol
Exact Mass308.06
IUPAC Name7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H8F4N2O/c16-10-3-6-12-13(7-10)20-8-21(14(12)22)11-4-1-9(2-5-11)15(17,18)19/h1-8H
InChIKeyUGCVISKMHNFOEJ-UHFFFAOYSA-N
XLogP3.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one (CID 121004988) is 7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one is O=c1c2ccc(F)cc2ncn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
The InChIKey is UGCVISKMHNFOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2O/c16-10-3-6-12-13(7-10)20-8-21(14(12)22)11-4-1-9(2-5-11)15(17,18)19/h1-8H.
What are the key properties of 7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one has a molecular weight of 308.23 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[4-(trifluoromethyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 121004988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).