6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one

C22H16IN3O2 — CID 2940202

IUPAC6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
SMILESCOc1cccc(-n2c(C=Cc3cccnc3)nc3ccc(I)cc3c2=O)c1
InChIInChI=1S/C22H16IN3O2/c1-28-18-6-2-5-17(13-18)26-21(10-7-15-4-3-11-24-14-15)25-20-9-8-16(23)12-19(20)22(26)27/h2-14H,1H3
InChIKeyYIROTRHRIJXJOP-UHFFFAOYSA-N
MW481.29 g/mol
LogP4.56
Rot. Bonds4

About 6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one

6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one (PubChem CID 2940202) has the molecular formula C22H16IN3O2 and a molecular weight of 481.29 g/mol. Its IUPAC name is 6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one.

Molecular Properties

Compound Name6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
PubChem CID2940202
Molecular FormulaC22H16IN3O2
Molecular Weight481.29 g/mol
Exact Mass481.03
IUPAC Name6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one
SMILESCOc1cccc(-n2c(C=Cc3cccnc3)nc3ccc(I)cc3c2=O)c1
InChIInChI=1S/C22H16IN3O2/c1-28-18-6-2-5-17(13-18)26-21(10-7-15-4-3-11-24-14-15)25-20-9-8-16(23)12-19(20)22(26)27/h2-14H,1H3
InChIKeyYIROTRHRIJXJOP-UHFFFAOYSA-N
XLogP4.56
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.29
LogP ≤ 54.56
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-methoxyphenyl)ethenyl]quinazolin-4-one
CID 3713569
2-[(E)-2-(3-bromophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
CID 6238237
6-iodo-3-(3-methoxyphenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 4271756
6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 3837973
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
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one
CID 135422617
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
6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one
CID 46855601
6-iodo-2-[2-(3-nitrophenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2888494
3-(4-bromophenyl)-6-iodo-2-[(E)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 6184102

Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one?
The IUPAC name of 6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one (CID 2940202) is 6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one.
What is the SMILES notation for 6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one?
The canonical SMILES for 6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one is COc1cccc(-n2c(C=Cc3cccnc3)nc3ccc(I)cc3c2=O)c1.
What is the InChIKey of 6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one?
The InChIKey is YIROTRHRIJXJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16IN3O2/c1-28-18-6-2-5-17(13-18)26-21(10-7-15-4-3-11-24-14-15)25-20-9-8-16(23)12-19(20)22(26)27/h2-14H,1H3.
What are the key properties of 6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one?
6-iodo-3-(3-methoxyphenyl)-2-(2-pyridin-3-ylethenyl)quinazolin-4-one has a molecular weight of 481.29 g/mol, XLogP of 4.56, 4 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-pyridin-3-ylethenyl)quinazolin-4-one is sourced from PubChem (CID 2940202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).