3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one

C22H17FN2O2 — CID 135430569

IUPAC3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2O)n1CCc1ccccc1F
InChIInChI=1S/C22H17FN2O2/c23-18-10-4-1-7-15(18)13-14-25-21(17-9-3-6-12-20(17)26)24-19-11-5-2-8-16(19)22(25)27/h1-12,26H,13-14H2
InChIKeyYNJZPISVTLOZIX-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.15
Rot. Bonds4

About 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one

3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one (PubChem CID 135430569) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one
PubChem CID135430569
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2O)n1CCc1ccccc1F
InChIInChI=1S/C22H17FN2O2/c23-18-10-4-1-7-15(18)13-14-25-21(17-9-3-6-12-20(17)26)24-19-11-5-2-8-16(19)22(25)27/h1-12,26H,13-14H2
InChIKeyYNJZPISVTLOZIX-UHFFFAOYSA-N
XLogP4.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135503775
CID 135503775
6-fluoro-2-(2-hydroxyphenyl)-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 135464225
3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
CID 142893421
3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-phenylquinazolin-4-one
CID 17038074
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
2-(2-hydroxyphenyl)-3-(4-methylphenoxy)quinazolin-4-one
CID 141088520
2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 135712805
3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one
CID 135401163
6-fluoro-2-(2-hydroxyphenyl)-3-[(2S)-2-phenylpropyl]quinazolin-4-one
CID 135546074
2-(2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)-5-propan-2-yloxypyrimidin-4-one
CID 135712775
2-(2-hydroxyphenyl)-5-(methylamino)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948942
2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one
CID 118735048

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one (CID 135430569) is 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2O)n1CCc1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one?
The InChIKey is YNJZPISVTLOZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c23-18-10-4-1-7-15(18)13-14-25-21(17-9-3-6-12-20(17)26)24-19-11-5-2-8-16(19)22(25)27/h1-12,26H,13-14H2.
What are the key properties of 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one?
3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one has a molecular weight of 360.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 135430569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).