8-acetyl-2,3,6-trimethylquinazolin-4-one

C13H14N2O2 — CID 169155169

IUPAC8-acetyl-2,3,6-trimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(C)nc12
InChIInChI=1S/C13H14N2O2/c1-7-5-10(8(2)16)12-11(6-7)13(17)15(4)9(3)14-12/h5-6H,1-4H3
InChIKeyWDZLORWRKGIHJF-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.75
Rot. Bonds1

About 8-acetyl-2,3,6-trimethylquinazolin-4-one

8-acetyl-2,3,6-trimethylquinazolin-4-one (PubChem CID 169155169) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 8-acetyl-2,3,6-trimethylquinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-2,3,6-trimethylquinazolin-4-one
PubChem CID169155169
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name8-acetyl-2,3,6-trimethylquinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(C)nc12
InChIInChI=1S/C13H14N2O2/c1-7-5-10(8(2)16)12-11(6-7)13(17)15(4)9(3)14-12/h5-6H,1-4H3
InChIKeyWDZLORWRKGIHJF-UHFFFAOYSA-N
XLogP1.75
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-2,3,6-trimethylquinazolin-4-one?
The IUPAC name of 8-acetyl-2,3,6-trimethylquinazolin-4-one (CID 169155169) is 8-acetyl-2,3,6-trimethylquinazolin-4-one.
What is the SMILES notation for 8-acetyl-2,3,6-trimethylquinazolin-4-one?
The canonical SMILES for 8-acetyl-2,3,6-trimethylquinazolin-4-one is CC(=O)c1cc(C)cc2c(=O)n(C)c(C)nc12.
What is the InChIKey of 8-acetyl-2,3,6-trimethylquinazolin-4-one?
The InChIKey is WDZLORWRKGIHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-7-5-10(8(2)16)12-11(6-7)13(17)15(4)9(3)14-12/h5-6H,1-4H3.
What are the key properties of 8-acetyl-2,3,6-trimethylquinazolin-4-one?
8-acetyl-2,3,6-trimethylquinazolin-4-one has a molecular weight of 230.27 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-2,3,6-trimethylquinazolin-4-one is sourced from PubChem (CID 169155169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).