6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one

C24H19IN2O — CID 3837973

IUPAC6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one
SMILESCc1cccc(C=Cc2nc3ccc(I)cc3c(=O)n2-c2cccc(C)c2)c1
InChIInChI=1S/C24H19IN2O/c1-16-5-3-7-18(13-16)9-12-23-26-22-11-10-19(25)15-21(22)24(28)27(23)20-8-4-6-17(2)14-20/h3-15H,1-2H3
InChIKeyXUMZCNXQXCDQDT-UHFFFAOYSA-N
MW478.33 g/mol
LogP5.78
Rot. Bonds3

About 6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one

6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one (PubChem CID 3837973) has the molecular formula C24H19IN2O and a molecular weight of 478.33 g/mol. Its IUPAC name is 6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one
PubChem CID3837973
Molecular FormulaC24H19IN2O
Molecular Weight478.33 g/mol
Exact Mass478.05
IUPAC Name6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one
SMILESCc1cccc(C=Cc2nc3ccc(I)cc3c(=O)n2-c2cccc(C)c2)c1
InChIInChI=1S/C24H19IN2O/c1-16-5-3-7-18(13-16)9-12-23-26-22-11-10-19(25)15-21(22)24(28)27(23)20-8-4-6-17(2)14-20/h3-15H,1-2H3
InChIKeyXUMZCNXQXCDQDT-UHFFFAOYSA-N
XLogP5.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.33
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-6-iodo-2-[(E)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 6184102
ethyl 4-[6-iodo-2-[2-(3-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoate
CID 3339185
6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
CID 3713569
6-iodo-3-(3-methylphenyl)-2-[2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one
CID 2905328
2-[(E)-2-(3-bromophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
CID 6238237
2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-6-iodo-3-(3-methylphenyl)quinazolin-4-one
CID 6247514
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one
CID 135422617
6-iodo-2-[2-(3-nitrophenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2888494
6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
CID 2940202
6-iodo-2-[2-(4-methylphenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 3392791
4-[6-iodo-4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid
CID 46901723

Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one (CID 3837973) is 6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one is Cc1cccc(C=Cc2nc3ccc(I)cc3c(=O)n2-c2cccc(C)c2)c1.
What is the InChIKey of 6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one?
The InChIKey is XUMZCNXQXCDQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19IN2O/c1-16-5-3-7-18(13-16)9-12-23-26-22-11-10-19(25)15-21(22)24(28)27(23)20-8-4-6-17(2)14-20/h3-15H,1-2H3.
What are the key properties of 6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one?
6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one has a molecular weight of 478.33 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 3837973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).