2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one

C22H16F3N3O — CID 144954674

IUPAC2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one
SMILESCCc1nc2cccc(-c3cncc(C(F)(F)F)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H16F3N3O/c1-2-19-27-18-10-6-9-17(14-11-15(13-26-12-14)22(23,24)25)20(18)21(29)28(19)16-7-4-3-5-8-16/h3-13H,2H2,1H3
InChIKeyOQRHLNUSOFTEHM-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.03
Rot. Bonds3

About 2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one

2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one (PubChem CID 144954674) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one
PubChem CID144954674
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one
SMILESCCc1nc2cccc(-c3cncc(C(F)(F)F)c3)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H16F3N3O/c1-2-19-27-18-10-6-9-17(14-11-15(13-26-12-14)22(23,24)25)20(18)21(29)28(19)16-7-4-3-5-8-16/h3-13H,2H2,1H3
InChIKeyOQRHLNUSOFTEHM-UHFFFAOYSA-N
XLogP5.03
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(dimethylamino)phenyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144954508
5-(5-methoxy-3-pyridinyl)-3-phenyl-2-(propylaminomethyl)quinazolin-4-one
CID 144779762
2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
CID 123768528
2,4-diaminopyrimidine-5-carbonitrile;2-ethyl-5-(4-methylphenyl)-3-phenylquinazolin-4-one
CID 144954835
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-ethyl-8-(5-methyl-3-pyridinyl)-2-phenylisoquinolin-1-one;pyrido[3,2-d]pyrimidine-2,4-diamine
CID 144514840
5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one
CID 144824418
5-[2-(1,5-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 123948593
5-[2-(1,3-dimethylpyrazol-4-yl)ethynyl]-2-ethyl-3-phenylquinazolin-4-one
CID 144824894
2-ethyl-5-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-3-phenylquinazolin-4-one
CID 144824650
5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol
CID 144954554
5-bromo-3-phenyl-2-propylquinazolin-4-one
CID 142506267

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one?
The IUPAC name of 2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one (CID 144954674) is 2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one.
What is the SMILES notation for 2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one?
The canonical SMILES for 2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one is CCc1nc2cccc(-c3cncc(C(F)(F)F)c3)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one?
The InChIKey is OQRHLNUSOFTEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c1-2-19-27-18-10-6-9-17(14-11-15(13-26-12-14)22(23,24)25)20(18)21(29)28(19)16-7-4-3-5-8-16/h3-13H,2H2,1H3.
What are the key properties of 2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one?
2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one has a molecular weight of 395.38 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-phenyl-5-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-one is sourced from PubChem (CID 144954674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).