4-fluoro-6-methoxy-3H-quinazolin-2-one

C9H7FN2O2 — CID 70521421

IUPAC4-fluoro-6-methoxy-3H-quinazolin-2-one
SMILESCOc1ccc2nc(=O)[nH]c(F)c2c1
InChIInChI=1S/C9H7FN2O2/c1-14-5-2-3-7-6(4-5)8(10)12-9(13)11-7/h2-4H,1H3,(H,11,12,13)
InChIKeyANLRITSOFQLFAO-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.07
Rot. Bonds1

About 4-fluoro-6-methoxy-3H-quinazolin-2-one

4-fluoro-6-methoxy-3H-quinazolin-2-one (PubChem CID 70521421) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-fluoro-6-methoxy-3H-quinazolin-2-one
PubChem CID70521421
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name4-fluoro-6-methoxy-3H-quinazolin-2-one
SMILESCOc1ccc2nc(=O)[nH]c(F)c2c1
InChIInChI=1S/C9H7FN2O2/c1-14-5-2-3-7-6(4-5)8(10)12-9(13)11-7/h2-4H,1H3,(H,11,12,13)
InChIKeyANLRITSOFQLFAO-UHFFFAOYSA-N
XLogP1.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-3H-quinazolin-2-one?
The IUPAC name of 4-fluoro-6-methoxy-3H-quinazolin-2-one (CID 70521421) is 4-fluoro-6-methoxy-3H-quinazolin-2-one.
What is the SMILES notation for 4-fluoro-6-methoxy-3H-quinazolin-2-one?
The canonical SMILES for 4-fluoro-6-methoxy-3H-quinazolin-2-one is COc1ccc2nc(=O)[nH]c(F)c2c1.
What is the InChIKey of 4-fluoro-6-methoxy-3H-quinazolin-2-one?
The InChIKey is ANLRITSOFQLFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-14-5-2-3-7-6(4-5)8(10)12-9(13)11-7/h2-4H,1H3,(H,11,12,13).
What are the key properties of 4-fluoro-6-methoxy-3H-quinazolin-2-one?
4-fluoro-6-methoxy-3H-quinazolin-2-one has a molecular weight of 194.16 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-3H-quinazolin-2-one is sourced from PubChem (CID 70521421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).