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

C22H15FN2O2 — CID 92955316

IUPAC2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C\c2ccc(F)cc2)n1-c1ccc(O)cc1
InChIInChI=1S/C22H15FN2O2/c23-16-8-5-15(6-9-16)7-14-21-24-20-4-2-1-3-19(20)22(27)25(21)17-10-12-18(26)13-11-17/h1-14,26H/b14-7-
InChIKeyXJIKSGATFCCJEM-AUWJEWJLSA-N
MW358.37 g/mol
LogP4.40
Rot. Bonds3

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

2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one (PubChem CID 92955316) has the molecular formula C22H15FN2O2 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
PubChem CID92955316
Molecular FormulaC22H15FN2O2
Molecular Weight358.37 g/mol
Exact Mass358.11
IUPAC Name2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C\c2ccc(F)cc2)n1-c1ccc(O)cc1
InChIInChI=1S/C22H15FN2O2/c23-16-8-5-15(6-9-16)7-14-21-24-20-4-2-1-3-19(20)22(27)25(21)17-10-12-18(26)13-11-17/h1-14,26H/b14-7-
InChIKeyXJIKSGATFCCJEM-AUWJEWJLSA-N
XLogP4.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 135419107
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 78322132
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one
CID 92522255
3-(3-chloro-4-methoxyphenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 20966826
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one
CID 135422617
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 5168342
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one?
The IUPAC name of 2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one (CID 92955316) is 2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one is O=c1c2ccccc2nc(/C=C\c2ccc(F)cc2)n1-c1ccc(O)cc1.
What is the InChIKey of 2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one?
The InChIKey is XJIKSGATFCCJEM-AUWJEWJLSA-N. The full InChI is InChI=1S/C22H15FN2O2/c23-16-8-5-15(6-9-16)7-14-21-24-20-4-2-1-3-19(20)22(27)25(21)17-10-12-18(26)13-11-17/h1-14,26H/b14-7-.
What are the key properties of 2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one?
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one has a molecular weight of 358.37 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one is sourced from PubChem (CID 92955316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).