2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one

C22H16N2O2 — CID 67228667

IUPAC2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2cccc(O)c2)n1-c1ccccc1
InChIInChI=1S/C22H16N2O2/c25-18-10-6-7-16(15-18)13-14-21-23-20-12-5-4-11-19(20)22(26)24(21)17-8-2-1-3-9-17/h1-15,25H
InChIKeyXVGZQCOLPLZDCM-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.26
Rot. Bonds3

About 2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one

2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one (PubChem CID 67228667) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
PubChem CID67228667
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2cccc(O)c2)n1-c1ccccc1
InChIInChI=1S/C22H16N2O2/c25-18-10-6-7-16(15-18)13-14-21-23-20-12-5-4-11-19(20)22(26)24(21)17-8-2-1-3-9-17/h1-15,25H
InChIKeyXVGZQCOLPLZDCM-UHFFFAOYSA-N
XLogP4.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-2-[(E)-2-(3-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 20966836
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 135419107
2-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 2880218
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
2-[(E)-2-(2-fluorophenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one;bis(3-(3-hydroxyphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]quinazolin-4-one);tris(3-(3-hydroxyphenyl)-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-one)
CID 162152881
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one
CID 135422617
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one (CID 67228667) is 2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one is O=c1c2ccccc2nc(C=Cc2cccc(O)c2)n1-c1ccccc1.
What is the InChIKey of 2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one?
The InChIKey is XVGZQCOLPLZDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-18-10-6-7-16(15-18)13-14-21-23-20-12-5-4-11-19(20)22(26)24(21)17-8-2-1-3-9-17/h1-15,25H.
What are the key properties of 2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one?
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one has a molecular weight of 340.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 67228667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).