(3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione

C15H9N3O3 — CID 135493950

IUPAC(3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione
SMILESO=c1[nH]c2nc3ccccc3c(=O)n2/c1=C/c1ccco1
InChIInChI=1S/C15H9N3O3/c19-13-12(8-9-4-3-7-21-9)18-14(20)10-5-1-2-6-11(10)16-15(18)17-13/h1-8H,(H,16,17,19)/b12-8+
InChIKeyLRJVINWJIBXJMU-XYOKQWHBSA-N
MW279.25 g/mol
LogP0.68
Rot. Bonds1

About (3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione

(3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione (PubChem CID 135493950) has the molecular formula C15H9N3O3 and a molecular weight of 279.25 g/mol. Its IUPAC name is (3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione.

Molecular Properties

Compound Name(3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione
PubChem CID135493950
Molecular FormulaC15H9N3O3
Molecular Weight279.25 g/mol
Exact Mass279.06
IUPAC Name(3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione
SMILESO=c1[nH]c2nc3ccccc3c(=O)n2/c1=C/c1ccco1
InChIInChI=1S/C15H9N3O3/c19-13-12(8-9-4-3-7-21-9)18-14(20)10-5-1-2-6-11(10)16-15(18)17-13/h1-8H,(H,16,17,19)/b12-8+
InChIKeyLRJVINWJIBXJMU-XYOKQWHBSA-N
XLogP0.68
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione?
The IUPAC name of (3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione (CID 135493950) is (3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione.
What is the SMILES notation for (3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione?
The canonical SMILES for (3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione is O=c1[nH]c2nc3ccccc3c(=O)n2/c1=C/c1ccco1.
What is the InChIKey of (3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione?
The InChIKey is LRJVINWJIBXJMU-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H9N3O3/c19-13-12(8-9-4-3-7-21-9)18-14(20)10-5-1-2-6-11(10)16-15(18)17-13/h1-8H,(H,16,17,19)/b12-8+.
What are the key properties of (3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione?
(3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione has a molecular weight of 279.25 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione is sourced from PubChem (CID 135493950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).