5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one

C14H9IN2O4 — CID 11610940

IUPAC5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one
SMILESO=c1c2c(O)cc(O)c(I)c2ncn1-c1ccc(O)cc1
InChIInChI=1S/C14H9IN2O4/c15-12-10(20)5-9(19)11-13(12)16-6-17(14(11)21)7-1-3-8(18)4-2-7/h1-6,18-20H
InChIKeyCTRQGFMTOJOIDH-UHFFFAOYSA-N
MW396.14 g/mol
LogP2.11
Rot. Bonds1

About 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one

5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one (PubChem CID 11610940) has the molecular formula C14H9IN2O4 and a molecular weight of 396.14 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one
PubChem CID11610940
Molecular FormulaC14H9IN2O4
Molecular Weight396.14 g/mol
Exact Mass395.96
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one
SMILESO=c1c2c(O)cc(O)c(I)c2ncn1-c1ccc(O)cc1
InChIInChI=1S/C14H9IN2O4/c15-12-10(20)5-9(19)11-13(12)16-6-17(14(11)21)7-1-3-8(18)4-2-7/h1-6,18-20H
InChIKeyCTRQGFMTOJOIDH-UHFFFAOYSA-N
XLogP2.11
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.14
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one?
The IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one (CID 11610940) is 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one?
The canonical SMILES for 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one is O=c1c2c(O)cc(O)c(I)c2ncn1-c1ccc(O)cc1.
What is the InChIKey of 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one?
The InChIKey is CTRQGFMTOJOIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O4/c15-12-10(20)5-9(19)11-13(12)16-6-17(14(11)21)7-1-3-8(18)4-2-7/h1-6,18-20H.
What are the key properties of 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one?
5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one has a molecular weight of 396.14 g/mol, XLogP of 2.11, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-iodoquinazolin-4-one is sourced from PubChem (CID 11610940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).