3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one

C15H9FI2N2O — CID 3497178

IUPAC3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one
SMILESO=c1c2cc(I)cc(I)c2ncn1Cc1ccccc1F
InChIInChI=1S/C15H9FI2N2O/c16-12-4-2-1-3-9(12)7-20-8-19-14-11(15(20)21)5-10(17)6-13(14)18/h1-6,8H,7H2
InChIKeyLNYAKZNABVBGAE-UHFFFAOYSA-N
MW506.06 g/mol
LogP3.79
Rot. Bonds2

About 3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one

3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one (PubChem CID 3497178) has the molecular formula C15H9FI2N2O and a molecular weight of 506.06 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one
PubChem CID3497178
Molecular FormulaC15H9FI2N2O
Molecular Weight506.06 g/mol
Exact Mass505.88
IUPAC Name3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one
SMILESO=c1c2cc(I)cc(I)c2ncn1Cc1ccccc1F
InChIInChI=1S/C15H9FI2N2O/c16-12-4-2-1-3-9(12)7-20-8-19-14-11(15(20)21)5-10(17)6-13(14)18/h1-6,8H,7H2
InChIKeyLNYAKZNABVBGAE-UHFFFAOYSA-N
XLogP3.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.06
LogP ≤ 53.79
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

5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114583259
6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 39892488
6,8-diiodo-3-(2-naphthalen-2-yl-2-oxoethyl)quinazolin-4-one
CID 4237533
6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585464
6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114582406
methyl 3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxylate
CID 59842874
3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 24524274
N-(2-cyanophenyl)-2-(6,8-diiodo-4-oxoquinazolin-3-yl)acetamide
CID 3616564
5-[(2-fluorophenyl)methyl]-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 40683073
5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 66310417
5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde
CID 169333832
8-bromo-6-chloro-3-[(2-phenylphenyl)methyl]quinazolin-4-one
CID 164835520

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one (CID 3497178) is 3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one is O=c1c2cc(I)cc(I)c2ncn1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one?
The InChIKey is LNYAKZNABVBGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FI2N2O/c16-12-4-2-1-3-9(12)7-20-8-19-14-11(15(20)21)5-10(17)6-13(14)18/h1-6,8H,7H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one?
3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one has a molecular weight of 506.06 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one is sourced from PubChem (CID 3497178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).