5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione

C10H9IN2O4 — CID 22707040

IUPAC5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione
SMILESCOc1cc2[nH]c(=O)[nH]c(=O)c2c(I)c1OC
InChIInChI=1S/C10H9IN2O4/c1-16-5-3-4-6(7(11)8(5)17-2)9(14)13-10(15)12-4/h3H,1-2H3,(H2,12,13,14,15)
InChIKeyDUOAMFNJOVGYLY-UHFFFAOYSA-N
MW348.10 g/mol
LogP0.84
Rot. Bonds2

About 5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione

5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione (PubChem CID 22707040) has the molecular formula C10H9IN2O4 and a molecular weight of 348.10 g/mol. Its IUPAC name is 5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione
PubChem CID22707040
Molecular FormulaC10H9IN2O4
Molecular Weight348.10 g/mol
Exact Mass347.96
IUPAC Name5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione
SMILESCOc1cc2[nH]c(=O)[nH]c(=O)c2c(I)c1OC
InChIInChI=1S/C10H9IN2O4/c1-16-5-3-4-6(7(11)8(5)17-2)9(14)13-10(15)12-4/h3H,1-2H3,(H2,12,13,14,15)
InChIKeyDUOAMFNJOVGYLY-UHFFFAOYSA-N
XLogP0.84
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.10
LogP ≤ 50.84
H-Bond Donors ≤ 52
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 5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione (CID 22707040) is 5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione is COc1cc2[nH]c(=O)[nH]c(=O)c2c(I)c1OC.
What is the InChIKey of 5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione?
The InChIKey is DUOAMFNJOVGYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O4/c1-16-5-3-4-6(7(11)8(5)17-2)9(14)13-10(15)12-4/h3H,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione?
5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione has a molecular weight of 348.10 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6,7-dimethoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 22707040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).