3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one

C22H14Cl2N2O2 — CID 5168342

IUPAC3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2ccc(O)cc2)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C22H14Cl2N2O2/c23-17-5-3-6-18(24)21(17)26-20(13-10-14-8-11-15(27)12-9-14)25-19-7-2-1-4-16(19)22(26)28/h1-13,27H
InChIKeyFYTHXKZVWDSPDO-UHFFFAOYSA-N
MW409.27 g/mol
LogP5.57
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one

3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one (PubChem CID 5168342) has the molecular formula C22H14Cl2N2O2 and a molecular weight of 409.27 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
PubChem CID5168342
Molecular FormulaC22H14Cl2N2O2
Molecular Weight409.27 g/mol
Exact Mass408.04
IUPAC Name3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2ccc(O)cc2)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C22H14Cl2N2O2/c23-17-5-3-6-18(24)21(17)26-20(13-10-14-8-11-15(27)12-9-14)25-19-7-2-1-4-16(19)22(26)28/h1-13,27H
InChIKeyFYTHXKZVWDSPDO-UHFFFAOYSA-N
XLogP5.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.27
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dichlorophenyl)-2-[2-(4-propan-2-ylphenyl)ethenyl]quinazolin-4-one
CID 3837276
3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 11841509
3-(2,6-dichlorophenyl)-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 135436867
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-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 2902132
3-(3-chlorophenyl)-2-[2-(2-chlorophenyl)ethenyl]quinazolin-4-one
CID 2965083
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 7334822
3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 3756781
2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 6306933

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one (CID 5168342) is 3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one is O=c1c2ccccc2nc(C=Cc2ccc(O)cc2)n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
The InChIKey is FYTHXKZVWDSPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O2/c23-17-5-3-6-18(24)21(17)26-20(13-10-14-8-11-15(27)12-9-14)25-19-7-2-1-4-16(19)22(26)28/h1-13,27H.
What are the key properties of 3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one?
3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one has a molecular weight of 409.27 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 5168342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).