(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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Related Compounds

(3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione
CID 135493945
8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one
CID 21489217
3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one
CID 5377736
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione
CID 56694885
3-[(E)-furan-2-ylmethylideneamino]-2-(naphthalen-1-yloxymethyl)quinazolin-4-one
CID 44822286
CID 156870601
CID 156870601
4-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 75539356
3-[(E)-anthracen-9-ylmethylideneamino]-2-(furan-2-yl)quinazolin-4-one
CID 53306078
(2E)-5-amino-2-(furan-2-ylmethylidene)-6-piperidin-1-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione
CID 6475562
3-[(E)-1-(furan-2-yl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-2-methylquinazolin-4-one
CID 56964195
N-[(E)-furan-2-ylmethylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 6878975
ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione
CID 156863175

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).