8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one

C16H20N2O3 — CID 170438310

IUPAC8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(OCC(C)C)nc12
InChIInChI=1S/C16H20N2O3/c1-9(2)8-21-16-17-14-12(11(4)19)6-10(3)7-13(14)15(20)18(16)5/h6-7,9H,8H2,1-5H3
InChIKeyFDZWBNXXGBYJRL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.48
Rot. Bonds4

About 8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one

8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one (PubChem CID 170438310) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one.

Molecular Properties

Compound Name8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one
PubChem CID170438310
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one
SMILESCC(=O)c1cc(C)cc2c(=O)n(C)c(OCC(C)C)nc12
InChIInChI=1S/C16H20N2O3/c1-9(2)8-21-16-17-14-12(11(4)19)6-10(3)7-13(14)15(20)18(16)5/h6-7,9H,8H2,1-5H3
InChIKeyFDZWBNXXGBYJRL-UHFFFAOYSA-N
XLogP2.48
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one?
The IUPAC name of 8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one (CID 170438310) is 8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one.
What is the SMILES notation for 8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one?
The canonical SMILES for 8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one is CC(=O)c1cc(C)cc2c(=O)n(C)c(OCC(C)C)nc12.
What is the InChIKey of 8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one?
The InChIKey is FDZWBNXXGBYJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9(2)8-21-16-17-14-12(11(4)19)6-10(3)7-13(14)15(20)18(16)5/h6-7,9H,8H2,1-5H3.
What are the key properties of 8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one?
8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one has a molecular weight of 288.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-3,6-dimethyl-2-(2-methylpropoxy)quinazolin-4-one is sourced from PubChem (CID 170438310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).