8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one

C16H17FN2O3 — CID 170753229

IUPAC8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one
SMILESCC(=O)c1cc(F)cc2c(=O)n(C)c(C3CCOCC3)nc12
InChIInChI=1S/C16H17FN2O3/c1-9(20)12-7-11(17)8-13-14(12)18-15(19(2)16(13)21)10-3-5-22-6-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeyOGRJALHIWRGJOA-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.17
Rot. Bonds2

About 8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one

8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one (PubChem CID 170753229) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one
PubChem CID170753229
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one
SMILESCC(=O)c1cc(F)cc2c(=O)n(C)c(C3CCOCC3)nc12
InChIInChI=1S/C16H17FN2O3/c1-9(20)12-7-11(17)8-13-14(12)18-15(19(2)16(13)21)10-3-5-22-6-4-10/h7-8,10H,3-6H2,1-2H3
InChIKeyOGRJALHIWRGJOA-UHFFFAOYSA-N
XLogP2.17
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one?
The IUPAC name of 8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one (CID 170753229) is 8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one.
What is the SMILES notation for 8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one?
The canonical SMILES for 8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one is CC(=O)c1cc(F)cc2c(=O)n(C)c(C3CCOCC3)nc12.
What is the InChIKey of 8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one?
The InChIKey is OGRJALHIWRGJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-9(20)12-7-11(17)8-13-14(12)18-15(19(2)16(13)21)10-3-5-22-6-4-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one?
8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one has a molecular weight of 304.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-6-fluoro-3-methyl-2-(oxan-4-yl)quinazolin-4-one is sourced from PubChem (CID 170753229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).