1-fluoro-5-methylquinazoline-2,4-dione

C9H7FN2O2 — CID 90802011

IUPAC1-fluoro-5-methylquinazoline-2,4-dione
SMILESCc1cccc2c1c(=O)[nH]c(=O)n2F
InChIInChI=1S/C9H7FN2O2/c1-5-3-2-4-6-7(5)8(13)11-9(14)12(6)10/h2-4H,1H3,(H,11,13,14)
InChIKeyZVEJWWPXAVESRN-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.73
Rot. Bonds

About 1-fluoro-5-methylquinazoline-2,4-dione

1-fluoro-5-methylquinazoline-2,4-dione (PubChem CID 90802011) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 1-fluoro-5-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-fluoro-5-methylquinazoline-2,4-dione
PubChem CID90802011
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name1-fluoro-5-methylquinazoline-2,4-dione
SMILESCc1cccc2c1c(=O)[nH]c(=O)n2F
InChIInChI=1S/C9H7FN2O2/c1-5-3-2-4-6-7(5)8(13)11-9(14)12(6)10/h2-4H,1H3,(H,11,13,14)
InChIKeyZVEJWWPXAVESRN-UHFFFAOYSA-N
XLogP0.73
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methylquinazoline-2,4-dione?
The IUPAC name of 1-fluoro-5-methylquinazoline-2,4-dione (CID 90802011) is 1-fluoro-5-methylquinazoline-2,4-dione.
What is the SMILES notation for 1-fluoro-5-methylquinazoline-2,4-dione?
The canonical SMILES for 1-fluoro-5-methylquinazoline-2,4-dione is Cc1cccc2c1c(=O)[nH]c(=O)n2F.
What is the InChIKey of 1-fluoro-5-methylquinazoline-2,4-dione?
The InChIKey is ZVEJWWPXAVESRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-5-3-2-4-6-7(5)8(13)11-9(14)12(6)10/h2-4H,1H3,(H,11,13,14).
What are the key properties of 1-fluoro-5-methylquinazoline-2,4-dione?
1-fluoro-5-methylquinazoline-2,4-dione has a molecular weight of 194.16 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methylquinazoline-2,4-dione is sourced from PubChem (CID 90802011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).