3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione

C14H12N2O2S — CID 115587417

IUPAC3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2ccc(-c3cccs3)cc2c1=O
InChIInChI=1S/C14H12N2O2S/c1-2-16-13(17)10-8-9(12-4-3-7-19-12)5-6-11(10)15-14(16)18/h3-8H,2H2,1H3,(H,15,18)
InChIKeyFOKHUURQRONWEW-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.44
Rot. Bonds2

About 3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione

3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione (PubChem CID 115587417) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione
PubChem CID115587417
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2ccc(-c3cccs3)cc2c1=O
InChIInChI=1S/C14H12N2O2S/c1-2-16-13(17)10-8-9(12-4-3-7-19-12)5-6-11(10)15-14(16)18/h3-8H,2H2,1H3,(H,15,18)
InChIKeyFOKHUURQRONWEW-UHFFFAOYSA-N
XLogP2.44
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione?
The IUPAC name of 3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione (CID 115587417) is 3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione is CCn1c(=O)[nH]c2ccc(-c3cccs3)cc2c1=O.
What is the InChIKey of 3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione?
The InChIKey is FOKHUURQRONWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-2-16-13(17)10-8-9(12-4-3-7-19-12)5-6-11(10)15-14(16)18/h3-8H,2H2,1H3,(H,15,18).
What are the key properties of 3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione?
3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione has a molecular weight of 272.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-thiophen-2-yl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 115587417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).