(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione

C19H16N4O2 — CID 56694885

IUPAC(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione
SMILESCN(C)c1ccc(/C=c2/[nH]c3nc4ccccc4c(=O)n3c2=O)cc1
InChIInChI=1S/C19H16N4O2/c1-22(2)13-9-7-12(8-10-13)11-16-18(25)23-17(24)14-5-3-4-6-15(14)20-19(23)21-16/h3-11H,1-2H3,(H,20,21)/b16-11+
InChIKeyLZKDLYRSADYNQE-LFIBNONCSA-N
MW332.36 g/mol
LogP1.15
Rot. Bonds2

About (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione

(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione (PubChem CID 56694885) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione.

Molecular Properties

Compound Name(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione
PubChem CID56694885
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione
SMILESCN(C)c1ccc(/C=c2/[nH]c3nc4ccccc4c(=O)n3c2=O)cc1
InChIInChI=1S/C19H16N4O2/c1-22(2)13-9-7-12(8-10-13)11-16-18(25)23-17(24)14-5-3-4-6-15(14)20-19(23)21-16/h3-11H,1-2H3,(H,20,21)/b16-11+
InChIKeyLZKDLYRSADYNQE-LFIBNONCSA-N
XLogP1.15
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione
CID 135493945
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 90759632
3-(2-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 2902132
3-(2,6-dichlorophenyl)-2-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]quinazolin-4-one
CID 11841509
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 682128
3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
CID 29456276
3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one
CID 67601940
(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]quinazoline-1,5-dione
CID 102228148
2-[4-(dimethylamino)phenyl]-3-phenyl-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 11783927
3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 6863529
(3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione
CID 135493950
2-[2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-nitrophenyl)quinazolin-4-one
CID 2876177

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione?
The IUPAC name of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione (CID 56694885) is (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione.
What is the SMILES notation for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione?
The canonical SMILES for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione is CN(C)c1ccc(/C=c2/[nH]c3nc4ccccc4c(=O)n3c2=O)cc1.
What is the InChIKey of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione?
The InChIKey is LZKDLYRSADYNQE-LFIBNONCSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-22(2)13-9-7-12(8-10-13)11-16-18(25)23-17(24)14-5-3-4-6-15(14)20-19(23)21-16/h3-11H,1-2H3,(H,20,21)/b16-11+.
What are the key properties of (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione?
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione has a molecular weight of 332.36 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione is sourced from PubChem (CID 56694885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).