8-fluoro-7-methoxy-3H-quinazolin-4-one

C9H7FN2O2 — CID 136983588

IUPAC8-fluoro-7-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2c(=O)[nH]cnc2c1F
InChIInChI=1S/C9H7FN2O2/c1-14-6-3-2-5-8(7(6)10)11-4-12-9(5)13/h2-4H,1H3,(H,11,12,13)
InChIKeyXQWPWTCSZUODOP-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.07
Rot. Bonds1

About 8-fluoro-7-methoxy-3H-quinazolin-4-one

8-fluoro-7-methoxy-3H-quinazolin-4-one (PubChem CID 136983588) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 8-fluoro-7-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-fluoro-7-methoxy-3H-quinazolin-4-one
PubChem CID136983588
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name8-fluoro-7-methoxy-3H-quinazolin-4-one
SMILESCOc1ccc2c(=O)[nH]cnc2c1F
InChIInChI=1S/C9H7FN2O2/c1-14-6-3-2-5-8(7(6)10)11-4-12-9(5)13/h2-4H,1H3,(H,11,12,13)
InChIKeyXQWPWTCSZUODOP-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 8-fluoro-7-methoxy-3H-quinazolin-4-one?
The IUPAC name of 8-fluoro-7-methoxy-3H-quinazolin-4-one (CID 136983588) is 8-fluoro-7-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 8-fluoro-7-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 8-fluoro-7-methoxy-3H-quinazolin-4-one is COc1ccc2c(=O)[nH]cnc2c1F.
What is the InChIKey of 8-fluoro-7-methoxy-3H-quinazolin-4-one?
The InChIKey is XQWPWTCSZUODOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-14-6-3-2-5-8(7(6)10)11-4-12-9(5)13/h2-4H,1H3,(H,11,12,13).
What are the key properties of 8-fluoro-7-methoxy-3H-quinazolin-4-one?
8-fluoro-7-methoxy-3H-quinazolin-4-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 8-fluoro-7-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136983588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).