7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione

C14H8BrIN2O2 — CID 168875392

IUPAC7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(I)c2)c2cc(Br)ccc12
InChIInChI=1S/C14H8BrIN2O2/c15-8-4-5-11-12(6-8)18(14(20)17-13(11)19)10-3-1-2-9(16)7-10/h1-7H,(H,17,19,20)
InChIKeyKJEPJCXQMITPIB-UHFFFAOYSA-N
MW443.04 g/mol
LogP3.05
Rot. Bonds1

About 7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione

7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione (PubChem CID 168875392) has the molecular formula C14H8BrIN2O2 and a molecular weight of 443.04 g/mol. Its IUPAC name is 7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione
PubChem CID168875392
Molecular FormulaC14H8BrIN2O2
Molecular Weight443.04 g/mol
Exact Mass441.88
IUPAC Name7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(I)c2)c2cc(Br)ccc12
InChIInChI=1S/C14H8BrIN2O2/c15-8-4-5-11-12(6-8)18(14(20)17-13(11)19)10-3-1-2-9(16)7-10/h1-7H,(H,17,19,20)
InChIKeyKJEPJCXQMITPIB-UHFFFAOYSA-N
XLogP3.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.04
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione?
The IUPAC name of 7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione (CID 168875392) is 7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione.
What is the SMILES notation for 7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione?
The canonical SMILES for 7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione is O=c1[nH]c(=O)n(-c2cccc(I)c2)c2cc(Br)ccc12.
What is the InChIKey of 7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione?
The InChIKey is KJEPJCXQMITPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrIN2O2/c15-8-4-5-11-12(6-8)18(14(20)17-13(11)19)10-3-1-2-9(16)7-10/h1-7H,(H,17,19,20).
What are the key properties of 7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione?
7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione has a molecular weight of 443.04 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione is sourced from PubChem (CID 168875392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).