4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one

C18H16F4N2O — CID 11853562

IUPAC4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
SMILESCCC1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F
InChIInChI=1S/C18H16F4N2O/c1-2-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)23-16(25)24(17)11-18(20,21)22/h3-10H,2,11H2,1H3,(H,23,25)
InChIKeyAOYFAIZUGKHXQU-UHFFFAOYSA-N
MW352.33 g/mol
LogP4.89
Rot. Bonds3

About 4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one

4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one (PubChem CID 11853562) has the molecular formula C18H16F4N2O and a molecular weight of 352.33 g/mol. Its IUPAC name is 4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
PubChem CID11853562
Molecular FormulaC18H16F4N2O
Molecular Weight352.33 g/mol
Exact Mass352.12
IUPAC Name4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
SMILESCCC1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F
InChIInChI=1S/C18H16F4N2O/c1-2-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)23-16(25)24(17)11-18(20,21)22/h3-10H,2,11H2,1H3,(H,23,25)
InChIKeyAOYFAIZUGKHXQU-UHFFFAOYSA-N
XLogP4.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
The IUPAC name of 4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one (CID 11853562) is 4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one.
What is the SMILES notation for 4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
The canonical SMILES for 4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one is CCC1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F.
What is the InChIKey of 4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
The InChIKey is AOYFAIZUGKHXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O/c1-2-17(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)23-16(25)24(17)11-18(20,21)22/h3-10H,2,11H2,1H3,(H,23,25).
What are the key properties of 4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one has a molecular weight of 352.33 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-fluoro-4-phenyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one is sourced from PubChem (CID 11853562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).