6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one

C22H17FN2O2 — CID 135543644

IUPAC6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(-c2ccccc2O)n1CCc1ccccc1
InChIInChI=1S/C22H17FN2O2/c23-16-10-11-19-18(14-16)22(27)25(13-12-15-6-2-1-3-7-15)21(24-19)17-8-4-5-9-20(17)26/h1-11,14,26H,12-13H2
InChIKeyAOCHDFWZHGQOFU-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.15
Rot. Bonds4

About 6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one

6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one (PubChem CID 135543644) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one
PubChem CID135543644
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(-c2ccccc2O)n1CCc1ccccc1
InChIInChI=1S/C22H17FN2O2/c23-16-10-11-19-18(14-16)22(27)25(13-12-15-6-2-1-3-7-15)21(24-19)17-8-4-5-9-20(17)26/h1-11,14,26H,12-13H2
InChIKeyAOCHDFWZHGQOFU-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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one?
The IUPAC name of 6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one (CID 135543644) is 6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one is O=c1c2cc(F)ccc2nc(-c2ccccc2O)n1CCc1ccccc1.
What is the InChIKey of 6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one?
The InChIKey is AOCHDFWZHGQOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c23-16-10-11-19-18(14-16)22(27)25(13-12-15-6-2-1-3-7-15)21(24-19)17-8-4-5-9-20(17)26/h1-11,14,26H,12-13H2.
What are the key properties of 6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one?
6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)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 6-fluoro-2-(2-hydroxyphenyl)-3-(2-phenylethyl)quinazolin-4-one is sourced from PubChem (CID 135543644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).