3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione

C15H20N2O2 — CID 69471578

IUPAC3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione
SMILESCC(C)C(C)(C)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C15H20N2O2/c1-10(2)15(3,4)9-17-13(18)11-7-5-6-8-12(11)16-14(17)19/h5-8,10H,9H2,1-4H3,(H,16,19)
InChIKeyQRNYERWOCIJJFA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.37
Rot. Bonds3

About 3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione

3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione (PubChem CID 69471578) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione
PubChem CID69471578
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione
SMILESCC(C)C(C)(C)Cn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C15H20N2O2/c1-10(2)15(3,4)9-17-13(18)11-7-5-6-8-12(11)16-14(17)19/h5-8,10H,9H2,1-4H3,(H,16,19)
InChIKeyQRNYERWOCIJJFA-UHFFFAOYSA-N
XLogP2.37
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,2,3-trimethylbutyl)-1H-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-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione (CID 69471578) is 3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione is CC(C)C(C)(C)Cn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione?
The InChIKey is QRNYERWOCIJJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)15(3,4)9-17-13(18)11-7-5-6-8-12(11)16-14(17)19/h5-8,10H,9H2,1-4H3,(H,16,19).
What are the key properties of 3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione?
3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione has a molecular weight of 260.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 69471578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).