6-iodo-3-propyl-1H-quinazoline-2,4-dione

C11H11IN2O2 — CID 22116532

IUPAC6-iodo-3-propyl-1H-quinazoline-2,4-dione
SMILESCCCn1c(=O)[nH]c2ccc(I)cc2c1=O
InChIInChI=1S/C11H11IN2O2/c1-2-5-14-10(15)8-6-7(12)3-4-9(8)13-11(14)16/h3-4,6H,2,5H2,1H3,(H,13,16)
InChIKeyJBMGEIBGOVWTLH-UHFFFAOYSA-N
MW330.13 g/mol
LogP1.70
Rot. Bonds2

About 6-iodo-3-propyl-1H-quinazoline-2,4-dione

6-iodo-3-propyl-1H-quinazoline-2,4-dione (PubChem CID 22116532) has the molecular formula C11H11IN2O2 and a molecular weight of 330.13 g/mol. Its IUPAC name is 6-iodo-3-propyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-iodo-3-propyl-1H-quinazoline-2,4-dione
PubChem CID22116532
Molecular FormulaC11H11IN2O2
Molecular Weight330.13 g/mol
Exact Mass329.99
IUPAC Name6-iodo-3-propyl-1H-quinazoline-2,4-dione
SMILESCCCn1c(=O)[nH]c2ccc(I)cc2c1=O
InChIInChI=1S/C11H11IN2O2/c1-2-5-14-10(15)8-6-7(12)3-4-9(8)13-11(14)16/h3-4,6H,2,5H2,1H3,(H,13,16)
InChIKeyJBMGEIBGOVWTLH-UHFFFAOYSA-N
XLogP1.70
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-3-propyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-iodo-3-propyl-1H-quinazoline-2,4-dione (CID 22116532) is 6-iodo-3-propyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-iodo-3-propyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-iodo-3-propyl-1H-quinazoline-2,4-dione is CCCn1c(=O)[nH]c2ccc(I)cc2c1=O.
What is the InChIKey of 6-iodo-3-propyl-1H-quinazoline-2,4-dione?
The InChIKey is JBMGEIBGOVWTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O2/c1-2-5-14-10(15)8-6-7(12)3-4-9(8)13-11(14)16/h3-4,6H,2,5H2,1H3,(H,13,16).
What are the key properties of 6-iodo-3-propyl-1H-quinazoline-2,4-dione?
6-iodo-3-propyl-1H-quinazoline-2,4-dione has a molecular weight of 330.13 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-propyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 22116532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).