2-acetyl-3,7-dimethylquinazolin-4-one

C12H12N2O2 — CID 84784682

IUPAC2-acetyl-3,7-dimethylquinazolin-4-one
SMILESCC(=O)c1nc2cc(C)ccc2c(=O)n1C
InChIInChI=1S/C12H12N2O2/c1-7-4-5-9-10(6-7)13-11(8(2)15)14(3)12(9)16/h4-6H,1-3H3
InChIKeyZXXHCIBONCVDOI-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.44
Rot. Bonds1

About 2-acetyl-3,7-dimethylquinazolin-4-one

2-acetyl-3,7-dimethylquinazolin-4-one (PubChem CID 84784682) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-acetyl-3,7-dimethylquinazolin-4-one.

Molecular Properties

Compound Name2-acetyl-3,7-dimethylquinazolin-4-one
PubChem CID84784682
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-acetyl-3,7-dimethylquinazolin-4-one
SMILESCC(=O)c1nc2cc(C)ccc2c(=O)n1C
InChIInChI=1S/C12H12N2O2/c1-7-4-5-9-10(6-7)13-11(8(2)15)14(3)12(9)16/h4-6H,1-3H3
InChIKeyZXXHCIBONCVDOI-UHFFFAOYSA-N
XLogP1.44
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3,7-dimethylquinazolin-4-one?
The IUPAC name of 2-acetyl-3,7-dimethylquinazolin-4-one (CID 84784682) is 2-acetyl-3,7-dimethylquinazolin-4-one.
What is the SMILES notation for 2-acetyl-3,7-dimethylquinazolin-4-one?
The canonical SMILES for 2-acetyl-3,7-dimethylquinazolin-4-one is CC(=O)c1nc2cc(C)ccc2c(=O)n1C.
What is the InChIKey of 2-acetyl-3,7-dimethylquinazolin-4-one?
The InChIKey is ZXXHCIBONCVDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-4-5-9-10(6-7)13-11(8(2)15)14(3)12(9)16/h4-6H,1-3H3.
What are the key properties of 2-acetyl-3,7-dimethylquinazolin-4-one?
2-acetyl-3,7-dimethylquinazolin-4-one has a molecular weight of 216.24 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3,7-dimethylquinazolin-4-one is sourced from PubChem (CID 84784682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).