2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one

C22H15IN2O2 — CID 135422617

IUPAC2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one
SMILESO=c1c2cc(I)ccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccccc1
InChIInChI=1S/C22H15IN2O2/c23-16-9-12-20-19(14-16)22(27)25(17-4-2-1-3-5-17)21(24-20)13-8-15-6-10-18(26)11-7-15/h1-14,26H/b13-8+
InChIKeyIVUGHXMXOOVBMR-MDWZMJQESA-N
MW466.28 g/mol
LogP4.87
Rot. Bonds3

About 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one

2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one (PubChem CID 135422617) has the molecular formula C22H15IN2O2 and a molecular weight of 466.28 g/mol. Its IUPAC name is 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one
PubChem CID135422617
Molecular FormulaC22H15IN2O2
Molecular Weight466.28 g/mol
Exact Mass466.02
IUPAC Name2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one
SMILESO=c1c2cc(I)ccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccccc1
InChIInChI=1S/C22H15IN2O2/c23-16-9-12-20-19(14-16)22(27)25(17-4-2-1-3-5-17)21(24-20)13-8-15-6-10-18(26)11-7-15/h1-14,26H/b13-8+
InChIKeyIVUGHXMXOOVBMR-MDWZMJQESA-N
XLogP4.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.28
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4(3H)-Quinazolinone, 2-(2-hydroxyphenyl)-
CID 135458774
2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2)
CID 135405744
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
4(3H)-Quinazolinone, 3-(4-hydroxy-2-methylphenyl)-2-methyl-
CID 21143
2-(3-hydroxyphenyl)quinazolin-4(3H)-one
CID 135567246
3-(2-Hydroxyphenyl)-2-phenylquinazolin-4-one
CID 708942
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
CID 5733482
3-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid
CID 5765355
3-(2-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4(3H)-one
CID 135648109
3-(3-Hydroxyphenyl)-2-phenylquinazolin-4-one
CID 708940
Quinazolin-4(3H)-one, 2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)-
CID 135419118

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one (CID 135422617) is 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one is O=c1c2cc(I)ccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccccc1.
What is the InChIKey of 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one?
The InChIKey is IVUGHXMXOOVBMR-MDWZMJQESA-N. The full InChI is InChI=1S/C22H15IN2O2/c23-16-9-12-20-19(14-16)22(27)25(17-4-2-1-3-5-17)21(24-20)13-8-15-6-10-18(26)11-7-15/h1-14,26H/b13-8+.
What are the key properties of 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one?
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one has a molecular weight of 466.28 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one is sourced from PubChem (CID 135422617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).