1,3-ditert-butylquinazoline-2,4-dione

C16H22N2O2 — CID 69087292

IUPAC1,3-ditert-butylquinazoline-2,4-dione
SMILESCC(C)(C)n1c(=O)c2ccccc2n(C(C)(C)C)c1=O
InChIInChI=1S/C16H22N2O2/c1-15(2,3)17-12-10-8-7-9-11(12)13(19)18(14(17)20)16(4,5)6/h7-10H,1-6H3
InChIKeyQZLKXUGPPZCIHB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.67
Rot. Bonds

About 1,3-ditert-butylquinazoline-2,4-dione

1,3-ditert-butylquinazoline-2,4-dione (PubChem CID 69087292) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1,3-ditert-butylquinazoline-2,4-dione.

Molecular Properties

Compound Name1,3-ditert-butylquinazoline-2,4-dione
PubChem CID69087292
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1,3-ditert-butylquinazoline-2,4-dione
SMILESCC(C)(C)n1c(=O)c2ccccc2n(C(C)(C)C)c1=O
InChIInChI=1S/C16H22N2O2/c1-15(2,3)17-12-10-8-7-9-11(12)13(19)18(14(17)20)16(4,5)6/h7-10H,1-6H3
InChIKeyQZLKXUGPPZCIHB-UHFFFAOYSA-N
XLogP2.67
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butylquinazoline-2,4-dione?
The IUPAC name of 1,3-ditert-butylquinazoline-2,4-dione (CID 69087292) is 1,3-ditert-butylquinazoline-2,4-dione.
What is the SMILES notation for 1,3-ditert-butylquinazoline-2,4-dione?
The canonical SMILES for 1,3-ditert-butylquinazoline-2,4-dione is CC(C)(C)n1c(=O)c2ccccc2n(C(C)(C)C)c1=O.
What is the InChIKey of 1,3-ditert-butylquinazoline-2,4-dione?
The InChIKey is QZLKXUGPPZCIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-15(2,3)17-12-10-8-7-9-11(12)13(19)18(14(17)20)16(4,5)6/h7-10H,1-6H3.
What are the key properties of 1,3-ditert-butylquinazoline-2,4-dione?
1,3-ditert-butylquinazoline-2,4-dione has a molecular weight of 274.36 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butylquinazoline-2,4-dione is sourced from PubChem (CID 69087292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).