3-(4-iodophenyl)-1-methylquinazoline-2,4-dione

C15H11IN2O2 — CID 58915061

IUPAC3-(4-iodophenyl)-1-methylquinazoline-2,4-dione
SMILESCn1c(=O)n(-c2ccc(I)cc2)c(=O)c2ccccc21
InChIInChI=1S/C15H11IN2O2/c1-17-13-5-3-2-4-12(13)14(19)18(15(17)20)11-8-6-10(16)7-9-11/h2-9H,1H3
InChIKeyGAFCDGRYAYEGLD-UHFFFAOYSA-N
MW378.17 g/mol
LogP2.29
Rot. Bonds1

About 3-(4-iodophenyl)-1-methylquinazoline-2,4-dione

3-(4-iodophenyl)-1-methylquinazoline-2,4-dione (PubChem CID 58915061) has the molecular formula C15H11IN2O2 and a molecular weight of 378.17 g/mol. Its IUPAC name is 3-(4-iodophenyl)-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-iodophenyl)-1-methylquinazoline-2,4-dione
PubChem CID58915061
Molecular FormulaC15H11IN2O2
Molecular Weight378.17 g/mol
Exact Mass377.99
IUPAC Name3-(4-iodophenyl)-1-methylquinazoline-2,4-dione
SMILESCn1c(=O)n(-c2ccc(I)cc2)c(=O)c2ccccc21
InChIInChI=1S/C15H11IN2O2/c1-17-13-5-3-2-4-12(13)14(19)18(15(17)20)11-8-6-10(16)7-9-11/h2-9H,1H3
InChIKeyGAFCDGRYAYEGLD-UHFFFAOYSA-N
XLogP2.29
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-1-methylquinazoline-2,4-dione?
The IUPAC name of 3-(4-iodophenyl)-1-methylquinazoline-2,4-dione (CID 58915061) is 3-(4-iodophenyl)-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-(4-iodophenyl)-1-methylquinazoline-2,4-dione?
The canonical SMILES for 3-(4-iodophenyl)-1-methylquinazoline-2,4-dione is Cn1c(=O)n(-c2ccc(I)cc2)c(=O)c2ccccc21.
What is the InChIKey of 3-(4-iodophenyl)-1-methylquinazoline-2,4-dione?
The InChIKey is GAFCDGRYAYEGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O2/c1-17-13-5-3-2-4-12(13)14(19)18(15(17)20)11-8-6-10(16)7-9-11/h2-9H,1H3.
What are the key properties of 3-(4-iodophenyl)-1-methylquinazoline-2,4-dione?
3-(4-iodophenyl)-1-methylquinazoline-2,4-dione has a molecular weight of 378.17 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 58915061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).