5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one

C16H13IN2O4 — CID 11510099

IUPAC5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2cnc3cc(OC)c(I)c(O)c3c2=O)cc1
InChIInChI=1S/C16H13IN2O4/c1-22-10-5-3-9(4-6-10)19-8-18-11-7-12(23-2)14(17)15(20)13(11)16(19)21/h3-8,20H,1-2H3
InChIKeyLHARSWUWQMBHIK-UHFFFAOYSA-N
MW424.19 g/mol
LogP2.71
Rot. Bonds3

About 5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one

5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 11510099) has the molecular formula C16H13IN2O4 and a molecular weight of 424.19 g/mol. Its IUPAC name is 5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
PubChem CID11510099
Molecular FormulaC16H13IN2O4
Molecular Weight424.19 g/mol
Exact Mass423.99
IUPAC Name5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2cnc3cc(OC)c(I)c(O)c3c2=O)cc1
InChIInChI=1S/C16H13IN2O4/c1-22-10-5-3-9(4-6-10)19-8-18-11-7-12(23-2)14(17)15(20)13(11)16(19)21/h3-8,20H,1-2H3
InChIKeyLHARSWUWQMBHIK-UHFFFAOYSA-N
XLogP2.71
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.19
LogP ≤ 52.71
H-Bond Donors ≤ 51
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-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one (CID 11510099) is 5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-n2cnc3cc(OC)c(I)c(O)c3c2=O)cc1.
What is the InChIKey of 5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is LHARSWUWQMBHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O4/c1-22-10-5-3-9(4-6-10)19-8-18-11-7-12(23-2)14(17)15(20)13(11)16(19)21/h3-8,20H,1-2H3.
What are the key properties of 5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one?
5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 424.19 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-iodo-7-methoxy-3-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 11510099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).