2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one

C14H9IN2O2 — CID 135541903

IUPAC2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(O)cc2)nc2ccc([125I])cc12
InChIInChI=1S/C14H9IN2O2/c15-9-3-6-12-11(7-9)14(19)17-13(16-12)8-1-4-10(18)5-2-8/h1-7,18H,(H,16,17,19)/i15-2
InChIKeyAYAUYOFZSHVAIF-VLPIPSKASA-N
MW362.14 g/mol
LogP2.90
Rot. Bonds1

About 2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one

2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one (PubChem CID 135541903) has the molecular formula C14H9IN2O2 and a molecular weight of 362.14 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one
PubChem CID135541903
Molecular FormulaC14H9IN2O2
Molecular Weight362.14 g/mol
Exact Mass361.97
IUPAC Name2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(O)cc2)nc2ccc([125I])cc12
InChIInChI=1S/C14H9IN2O2/c15-9-3-6-12-11(7-9)14(19)17-13(16-12)8-1-4-10(18)5-2-8/h1-7,18H,(H,16,17,19)/i15-2
InChIKeyAYAUYOFZSHVAIF-VLPIPSKASA-N
XLogP2.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.14
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dihydroxyphenyl)-6-hydroxy-3H-quinazolin-4-one
CID 135999629
2-(4-acetylphenyl)-6-hydroxy-3H-quinazolin-4-one
CID 135999605
6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one
CID 137014833
actinium;6-hydroxy-2-(3-methylphenyl)-3H-quinazolin-4-one
CID 135999600
6-fluoro-2-phenyl-3H-quinazolin-4-one
CID 135741351
6-acetyl-2-phenyl-3H-quinazolin-4-one
CID 137082893
6-hydroxy-2-(5-nitrothiophen-3-yl)-3H-quinazolin-4-one
CID 135796482
6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one
CID 167985488
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
2-(4-oxo-3H-quinazolin-6-yl)-3H-quinazolin-4-one
CID 168553315
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
CID 168551464

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one (CID 135541903) is 2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(O)cc2)nc2ccc([125I])cc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one?
The InChIKey is AYAUYOFZSHVAIF-VLPIPSKASA-N. The full InChI is InChI=1S/C14H9IN2O2/c15-9-3-6-12-11(7-9)14(19)17-13(16-12)8-1-4-10(18)5-2-8/h1-7,18H,(H,16,17,19)/i15-2.
What are the key properties of 2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one?
2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one has a molecular weight of 362.14 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one is sourced from PubChem (CID 135541903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).