6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one

C22H16IN3O2 — CID 46855601

IUPAC6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one
SMILESCOc1ccc(/N=C/c2nc3ccc(I)cc3c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C22H16IN3O2/c1-28-18-10-8-16(9-11-18)24-14-21-25-20-12-7-15(23)13-19(20)22(27)26(21)17-5-3-2-4-6-17/h2-14H,1H3/b24-14+
InChIKeyQRTWUTIRYQOTFW-ZVHZXABRSA-N
MW481.29 g/mol
LogP4.75
Rot. Bonds4

About 6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one

6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one (PubChem CID 46855601) has the molecular formula C22H16IN3O2 and a molecular weight of 481.29 g/mol. Its IUPAC name is 6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one
PubChem CID46855601
Molecular FormulaC22H16IN3O2
Molecular Weight481.29 g/mol
Exact Mass481.03
IUPAC Name6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one
SMILESCOc1ccc(/N=C/c2nc3ccc(I)cc3c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C22H16IN3O2/c1-28-18-10-8-16(9-11-18)24-14-21-25-20-12-7-15(23)13-19(20)22(27)26(21)17-5-3-2-4-6-17/h2-14H,1H3/b24-14+
InChIKeyQRTWUTIRYQOTFW-ZVHZXABRSA-N
XLogP4.75
TPSA56.48 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 ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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
3-(4-bromophenyl)-6-iodo-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
CID 6238654
6-iodo-3-(4-methoxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
CID 135585060
1-[(E)-(6-iodo-4-oxo-3-phenylquinazolin-2-yl)methylideneamino]-3-methylthiourea
CID 46855741
6-iodo-3-(3-methoxyphenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 4271756
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one
CID 135422617
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
2-chloro-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
CID 67982185
3-[4-[(4-chlorophenyl)methylideneamino]phenyl]-2-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]quinazolin-4-one
CID 10052375
6-iodo-2-[2-(3-nitrophenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2888494
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one?
The IUPAC name of 6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one (CID 46855601) is 6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one is COc1ccc(/N=C/c2nc3ccc(I)cc3c(=O)n2-c2ccccc2)cc1.
What is the InChIKey of 6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one?
The InChIKey is QRTWUTIRYQOTFW-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H16IN3O2/c1-28-18-10-8-16(9-11-18)24-14-21-25-20-12-7-15(23)13-19(20)22(27)26(21)17-5-3-2-4-6-17/h2-14H,1H3/b24-14+.
What are the key properties of 6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one?
6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one has a molecular weight of 481.29 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-[(4-methoxyphenyl)iminomethyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 46855601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).