7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one

C13H13FN2O3 — CID 91114673

IUPAC7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(F)CC(OC3CCOCC3)=C12
InChIInChI=1S/C13H13FN2O3/c14-8-5-10-12(13(17)16-7-15-10)11(6-8)19-9-1-3-18-4-2-9/h5,7,9H,1-4,6H2
InChIKeyHTTBKHYXGHIACR-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.70
Rot. Bonds2

About 7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one

7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one (PubChem CID 91114673) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one
PubChem CID91114673
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(F)CC(OC3CCOCC3)=C12
InChIInChI=1S/C13H13FN2O3/c14-8-5-10-12(13(17)16-7-15-10)11(6-8)19-9-1-3-18-4-2-9/h5,7,9H,1-4,6H2
InChIKeyHTTBKHYXGHIACR-UHFFFAOYSA-N
XLogP1.70
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-5-(oxan-4-yloxy)-4aH-quinazolin-4-one
CID 73866966
7-methoxy-5-propoxy-6H-quinazolin-4-one
CID 91507353

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one?
The IUPAC name of 7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one (CID 91114673) is 7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one.
What is the SMILES notation for 7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one?
The canonical SMILES for 7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one is O=C1N=CN=C2C=C(F)CC(OC3CCOCC3)=C12.
What is the InChIKey of 7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one?
The InChIKey is HTTBKHYXGHIACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c14-8-5-10-12(13(17)16-7-15-10)11(6-8)19-9-1-3-18-4-2-9/h5,7,9H,1-4,6H2.
What are the key properties of 7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one?
7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one has a molecular weight of 264.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(oxan-4-yloxy)-6H-quinazolin-4-one is sourced from PubChem (CID 91114673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).