5-fluoro-2-methyl-3H-quinazolin-4-one

C9H7FN2O — CID 135438096

IUPAC5-fluoro-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2cccc(F)c2c(=O)[nH]1
InChIInChI=1S/C9H7FN2O/c1-5-11-7-4-2-3-6(10)8(7)9(13)12-5/h2-4H,1H3,(H,11,12,13)
InChIKeyFPZUXPTZQQJFTO-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.37
Rot. Bonds

About 5-fluoro-2-methyl-3H-quinazolin-4-one

5-fluoro-2-methyl-3H-quinazolin-4-one (PubChem CID 135438096) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 5-fluoro-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name5-fluoro-2-methyl-3H-quinazolin-4-one
PubChem CID135438096
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name5-fluoro-2-methyl-3H-quinazolin-4-one
SMILESCc1nc2cccc(F)c2c(=O)[nH]1
InChIInChI=1S/C9H7FN2O/c1-5-11-7-4-2-3-6(10)8(7)9(13)12-5/h2-4H,1H3,(H,11,12,13)
InChIKeyFPZUXPTZQQJFTO-UHFFFAOYSA-N
XLogP1.37
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 5-fluoro-2-methyl-3H-quinazolin-4-one (CID 135438096) is 5-fluoro-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 5-fluoro-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 5-fluoro-2-methyl-3H-quinazolin-4-one is Cc1nc2cccc(F)c2c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-methyl-3H-quinazolin-4-one?
The InChIKey is FPZUXPTZQQJFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c1-5-11-7-4-2-3-6(10)8(7)9(13)12-5/h2-4H,1H3,(H,11,12,13).
What are the key properties of 5-fluoro-2-methyl-3H-quinazolin-4-one?
5-fluoro-2-methyl-3H-quinazolin-4-one has a molecular weight of 178.17 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135438096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).