3-propan-2-yl-4aH-quinazoline-2,4-dione

C11H12N2O2 — CID 78292132

IUPAC3-propan-2-yl-4aH-quinazoline-2,4-dione
SMILESCC(C)N1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C11H12N2O2/c1-7(2)13-10(14)8-5-3-4-6-9(8)12-11(13)15/h3-8H,1-2H3
InChIKeyTWPIBYLUKKFZBL-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.54
Rot. Bonds1

About 3-propan-2-yl-4aH-quinazoline-2,4-dione

3-propan-2-yl-4aH-quinazoline-2,4-dione (PubChem CID 78292132) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-propan-2-yl-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-4aH-quinazoline-2,4-dione
PubChem CID78292132
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-propan-2-yl-4aH-quinazoline-2,4-dione
SMILESCC(C)N1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C11H12N2O2/c1-7(2)13-10(14)8-5-3-4-6-9(8)12-11(13)15/h3-8H,1-2H3
InChIKeyTWPIBYLUKKFZBL-UHFFFAOYSA-N
XLogP1.54
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-yl-4aH-quinazoline-2,4-dione 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 3-propan-2-yl-4aH-quinazoline-2,4-dione?
The IUPAC name of 3-propan-2-yl-4aH-quinazoline-2,4-dione (CID 78292132) is 3-propan-2-yl-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 3-propan-2-yl-4aH-quinazoline-2,4-dione?
The canonical SMILES for 3-propan-2-yl-4aH-quinazoline-2,4-dione is CC(C)N1C(=O)N=C2C=CC=CC2C1=O.
What is the InChIKey of 3-propan-2-yl-4aH-quinazoline-2,4-dione?
The InChIKey is TWPIBYLUKKFZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(2)13-10(14)8-5-3-4-6-9(8)12-11(13)15/h3-8H,1-2H3.
What are the key properties of 3-propan-2-yl-4aH-quinazoline-2,4-dione?
3-propan-2-yl-4aH-quinazoline-2,4-dione has a molecular weight of 204.23 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 78292132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).