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

C24H19IN2O3 — CID 3713569

IUPAC6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
SMILESCOc1ccc(C=Cc2nc3ccc(I)cc3c(=O)n2-c2cccc(OC)c2)cc1
InChIInChI=1S/C24H19IN2O3/c1-29-19-10-6-16(7-11-19)8-13-23-26-22-12-9-17(25)14-21(22)24(28)27(23)18-4-3-5-20(15-18)30-2/h3-15H,1-2H3
InChIKeyKCELDIJPICVAKF-UHFFFAOYSA-N
MW510.33 g/mol
LogP5.18
Rot. Bonds5

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

6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one (PubChem CID 3713569) has the molecular formula C24H19IN2O3 and a molecular weight of 510.33 g/mol. Its IUPAC name is 6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
PubChem CID3713569
Molecular FormulaC24H19IN2O3
Molecular Weight510.33 g/mol
Exact Mass510.04
IUPAC Name6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
SMILESCOc1ccc(C=Cc2nc3ccc(I)cc3c(=O)n2-c2cccc(OC)c2)cc1
InChIInChI=1S/C24H19IN2O3/c1-29-19-10-6-16(7-11-19)8-13-23-26-22-12-9-17(25)14-21(22)24(28)27(23)18-4-3-5-20(15-18)30-2/h3-15H,1-2H3
InChIKeyKCELDIJPICVAKF-UHFFFAOYSA-N
XLogP5.18
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.33
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-3-(3-methoxyphenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 4271756
6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
CID 2940202
2-[(E)-2-(3-bromophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
CID 6238237
3-(4-bromophenyl)-6-iodo-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
CID 6238654
2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
CID 67982185
6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 3837973
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one
CID 135422617
6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one
CID 46855601
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
2-[2-(2-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 2900924
3-(4-chloro-2-nitrophenyl)-6-iodo-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
CID 6238759
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410

Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one (CID 3713569) is 6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one is COc1ccc(C=Cc2nc3ccc(I)cc3c(=O)n2-c2cccc(OC)c2)cc1.
What is the InChIKey of 6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one?
The InChIKey is KCELDIJPICVAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19IN2O3/c1-29-19-10-6-16(7-11-19)8-13-23-26-22-12-9-17(25)14-21(22)24(28)27(23)18-4-3-5-20(15-18)30-2/h3-15H,1-2H3.
What are the key properties of 6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one?
6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one has a molecular weight of 510.33 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 3713569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).