1,6-difluoro-5-methylquinazoline-2,4-dione

C9H6F2N2O2 — CID 141041679

IUPAC1,6-difluoro-5-methylquinazoline-2,4-dione
SMILESCc1c(F)ccc2c1c(=O)[nH]c(=O)n2F
InChIInChI=1S/C9H6F2N2O2/c1-4-5(10)2-3-6-7(4)8(14)12-9(15)13(6)11/h2-3H,1H3,(H,12,14,15)
InChIKeyCEAZXRZGHZLXMO-UHFFFAOYSA-N
MW212.16 g/mol
LogP0.87
Rot. Bonds

About 1,6-difluoro-5-methylquinazoline-2,4-dione

1,6-difluoro-5-methylquinazoline-2,4-dione (PubChem CID 141041679) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 1,6-difluoro-5-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name1,6-difluoro-5-methylquinazoline-2,4-dione
PubChem CID141041679
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name1,6-difluoro-5-methylquinazoline-2,4-dione
SMILESCc1c(F)ccc2c1c(=O)[nH]c(=O)n2F
InChIInChI=1S/C9H6F2N2O2/c1-4-5(10)2-3-6-7(4)8(14)12-9(15)13(6)11/h2-3H,1H3,(H,12,14,15)
InChIKeyCEAZXRZGHZLXMO-UHFFFAOYSA-N
XLogP0.87
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-5-methylquinazoline-2,4-dione?
The IUPAC name of 1,6-difluoro-5-methylquinazoline-2,4-dione (CID 141041679) is 1,6-difluoro-5-methylquinazoline-2,4-dione.
What is the SMILES notation for 1,6-difluoro-5-methylquinazoline-2,4-dione?
The canonical SMILES for 1,6-difluoro-5-methylquinazoline-2,4-dione is Cc1c(F)ccc2c1c(=O)[nH]c(=O)n2F.
What is the InChIKey of 1,6-difluoro-5-methylquinazoline-2,4-dione?
The InChIKey is CEAZXRZGHZLXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c1-4-5(10)2-3-6-7(4)8(14)12-9(15)13(6)11/h2-3H,1H3,(H,12,14,15).
What are the key properties of 1,6-difluoro-5-methylquinazoline-2,4-dione?
1,6-difluoro-5-methylquinazoline-2,4-dione has a molecular weight of 212.16 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-5-methylquinazoline-2,4-dione is sourced from PubChem (CID 141041679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).