2-acetyl-4aH-quinazolin-4-one

C10H8N2O2 — CID 24871174

IUPAC2-acetyl-4aH-quinazolin-4-one
SMILESCC(=O)C1=NC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C10H8N2O2/c1-6(13)9-11-8-5-3-2-4-7(8)10(14)12-9/h2-5,7H,1H3
InChIKeyKLUGVJMTYKOJPG-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.70
Rot. Bonds1

About 2-acetyl-4aH-quinazolin-4-one

2-acetyl-4aH-quinazolin-4-one (PubChem CID 24871174) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-acetyl-4aH-quinazolin-4-one.

Molecular Properties

Compound Name2-acetyl-4aH-quinazolin-4-one
PubChem CID24871174
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-acetyl-4aH-quinazolin-4-one
SMILESCC(=O)C1=NC(=O)C2C=CC=CC2=N1
InChIInChI=1S/C10H8N2O2/c1-6(13)9-11-8-5-3-2-4-7(8)10(14)12-9/h2-5,7H,1H3
InChIKeyKLUGVJMTYKOJPG-UHFFFAOYSA-N
XLogP0.70
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-acetyl-4aH-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 2-acetyl-4aH-quinazolin-4-one?
The IUPAC name of 2-acetyl-4aH-quinazolin-4-one (CID 24871174) is 2-acetyl-4aH-quinazolin-4-one.
What is the SMILES notation for 2-acetyl-4aH-quinazolin-4-one?
The canonical SMILES for 2-acetyl-4aH-quinazolin-4-one is CC(=O)C1=NC(=O)C2C=CC=CC2=N1.
What is the InChIKey of 2-acetyl-4aH-quinazolin-4-one?
The InChIKey is KLUGVJMTYKOJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-6(13)9-11-8-5-3-2-4-7(8)10(14)12-9/h2-5,7H,1H3.
What are the key properties of 2-acetyl-4aH-quinazolin-4-one?
2-acetyl-4aH-quinazolin-4-one has a molecular weight of 188.19 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4aH-quinazolin-4-one is sourced from PubChem (CID 24871174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).