2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one

C26H16FIN2O — CID 5209750

IUPAC2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one
SMILESO=c1c2cc(I)ccc2nc(C=Cc2ccc(F)cc2)n1-c1cccc2ccccc12
InChIInChI=1S/C26H16FIN2O/c27-19-11-8-17(9-12-19)10-15-25-29-23-14-13-20(28)16-22(23)26(31)30(25)24-7-3-5-18-4-1-2-6-21(18)24/h1-16H
InChIKeyFSXPYZAPBZAIIV-UHFFFAOYSA-N
MW518.33 g/mol
LogP6.45
Rot. Bonds3

About 2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one

2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one (PubChem CID 5209750) has the molecular formula C26H16FIN2O and a molecular weight of 518.33 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one
PubChem CID5209750
Molecular FormulaC26H16FIN2O
Molecular Weight518.33 g/mol
Exact Mass518.03
IUPAC Name2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one
SMILESO=c1c2cc(I)ccc2nc(C=Cc2ccc(F)cc2)n1-c1cccc2ccccc12
InChIInChI=1S/C26H16FIN2O/c27-19-11-8-17(9-12-19)10-15-25-29-23-14-13-20(28)16-22(23)26(31)30(25)24-7-3-5-18-4-1-2-6-21(18)24/h1-16H
InChIKeyFSXPYZAPBZAIIV-UHFFFAOYSA-N
XLogP6.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.33
LogP ≤ 56.45
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-benzyl-2-[2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one
CID 3274004
3-ethyl-2-[(Z)-2-(4-fluorophenyl)ethenyl]-6-iodoquinazolin-4-one
CID 92919296
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-6-iodo-3-phenylquinazolin-4-one
CID 135422617
2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-iodo-3-(2-methoxyphenyl)quinazolin-4-one
CID 4551242
2-[(E)-2-(3-fluorophenyl)ethenyl]-3-(4-iodo-2-methylphenyl)quinazolin-4-one
CID 86771450
6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
CID 3713569
6-iodo-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 6178366
3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 78322132
6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 3837973
4-[6-iodo-4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid
CID 46901723
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
6-iodo-2-[2-(3-nitrophenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2888494

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one?
The IUPAC name of 2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one (CID 5209750) is 2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one is O=c1c2cc(I)ccc2nc(C=Cc2ccc(F)cc2)n1-c1cccc2ccccc12.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one?
The InChIKey is FSXPYZAPBZAIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16FIN2O/c27-19-11-8-17(9-12-19)10-15-25-29-23-14-13-20(28)16-22(23)26(31)30(25)24-7-3-5-18-4-1-2-6-21(18)24/h1-16H.
What are the key properties of 2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one?
2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one has a molecular weight of 518.33 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one is sourced from PubChem (CID 5209750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).