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

C22H16F2N2O2 — CID 135492578

IUPAC6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(-c2ccccc2O)n1CCc1cccc(F)c1
InChIInChI=1S/C22H16F2N2O2/c23-15-5-3-4-14(12-15)10-11-26-21(17-6-1-2-7-20(17)27)25-19-9-8-16(24)13-18(19)22(26)28/h1-9,12-13,27H,10-11H2
InChIKeyRIDQHUPWZIRXMP-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.29
Rot. Bonds4

About 6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one

6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one (PubChem CID 135492578) has the molecular formula C22H16F2N2O2 and a molecular weight of 378.38 g/mol. Its IUPAC name is 6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one
PubChem CID135492578
Molecular FormulaC22H16F2N2O2
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(-c2ccccc2O)n1CCc1cccc(F)c1
InChIInChI=1S/C22H16F2N2O2/c23-15-5-3-4-14(12-15)10-11-26-21(17-6-1-2-7-20(17)27)25-19-9-8-16(24)13-18(19)22(26)28/h1-9,12-13,27H,10-11H2
InChIKeyRIDQHUPWZIRXMP-UHFFFAOYSA-N
XLogP4.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4(3H)-Quinazolinone, 2-(2-hydroxyphenyl)-
CID 135458774
5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one
CID 136334632
3-(4-hydroxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5909322
3-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-phenyl-4(3H)-quinazolinone
CID 135539638
2-(2,5-dihydroxyphenyl)-3H-quinazolin-4-one
CID 136044079
3-(2-Hydroxyphenyl)-2-phenylquinazolin-4-one
CID 708942
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 5733482
3-{[(2-Hydroxyphenyl)methylidene]amino}-2-methyl-3,4-dihydroquinazolin-4-one
CID 135446665
3-(3-Hydroxyphenyl)-2-phenylquinazolin-4-one
CID 708940
3-(3-hydroxyphenyl)-2-(4-methylphenyl)-4(3H)-quinazolinone
CID 717898
2-[(E)-2-(2-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one
CID 5729328
3-[(3,5-Difluoro-4-hydroxyphenyl)methyl]-6-(3-phenylprop-1-ynyl)quinazolin-4-one
CID 10216178

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one (CID 135492578) is 6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one is O=c1c2cc(F)ccc2nc(-c2ccccc2O)n1CCc1cccc(F)c1.
What is the InChIKey of 6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one?
The InChIKey is RIDQHUPWZIRXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O2/c23-15-5-3-4-14(12-15)10-11-26-21(17-6-1-2-7-20(17)27)25-19-9-8-16(24)13-18(19)22(26)28/h1-9,12-13,27H,10-11H2.
What are the key properties of 6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one?
6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one has a molecular weight of 378.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 135492578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).