2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one

C22H14Br2N2O2 — CID 3090604

IUPAC2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2cc(Br)cc(Br)c2O)n1-c1ccccc1
InChIInChI=1S/C22H14Br2N2O2/c23-15-12-14(21(27)18(24)13-15)10-11-20-25-19-9-5-4-8-17(19)22(28)26(20)16-6-2-1-3-7-16/h1-13,27H
InChIKeyVGKTTZTZTGGTTP-UHFFFAOYSA-N
MW498.17 g/mol
LogP5.79
Rot. Bonds3

About 2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one

2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one (PubChem CID 3090604) has the molecular formula C22H14Br2N2O2 and a molecular weight of 498.17 g/mol. Its IUPAC name is 2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
PubChem CID3090604
Molecular FormulaC22H14Br2N2O2
Molecular Weight498.17 g/mol
Exact Mass495.94
IUPAC Name2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(C=Cc2cc(Br)cc(Br)c2O)n1-c1ccccc1
InChIInChI=1S/C22H14Br2N2O2/c23-15-12-14(21(27)18(24)13-15)10-11-20-25-19-9-5-4-8-17(19)22(28)26(20)16-6-2-1-3-7-16/h1-13,27H
InChIKeyVGKTTZTZTGGTTP-UHFFFAOYSA-N
XLogP5.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.17
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one
CID 554530
3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one
CID 3700273
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-(5-bromo-2-hydroxyphenyl)ethenyl]-3-(3-nitrophenyl)quinazolin-4-one
CID 135451284
2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
6-bromo-2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-phenylquinazolin-4-one
CID 135538321
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 6306933
3-(3-chlorophenyl)-2-[2-(2-chlorophenyl)ethenyl]quinazolin-4-one
CID 2965083

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one (CID 3090604) is 2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one is O=c1c2ccccc2nc(C=Cc2cc(Br)cc(Br)c2O)n1-c1ccccc1.
What is the InChIKey of 2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one?
The InChIKey is VGKTTZTZTGGTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2N2O2/c23-15-12-14(21(27)18(24)13-15)10-11-20-25-19-9-5-4-8-17(19)22(28)26(20)16-6-2-1-3-7-16/h1-13,27H.
What are the key properties of 2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one?
2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one has a molecular weight of 498.17 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 3090604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).