(2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione

C18H12ClN3O2 — CID 14468293

IUPAC(2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione
SMILESCN1C2=N/C(=C\c3ccc(Cl)cc3)C(=O)N2C(=O)c2ccccc21
InChIInChI=1S/C18H12ClN3O2/c1-21-15-5-3-2-4-13(15)16(23)22-17(24)14(20-18(21)22)10-11-6-8-12(19)9-7-11/h2-10H,1H3/b14-10-
InChIKeyJJUSXBHNLOGTCQ-UVTDQMKNSA-N
MW337.77 g/mol
LogP3.17
Rot. Bonds1

About (2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione

(2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione (PubChem CID 14468293) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is (2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione.

Molecular Properties

Compound Name(2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione
PubChem CID14468293
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name(2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione
SMILESCN1C2=N/C(=C\c3ccc(Cl)cc3)C(=O)N2C(=O)c2ccccc21
InChIInChI=1S/C18H12ClN3O2/c1-21-15-5-3-2-4-13(15)16(23)22-17(24)14(20-18(21)22)10-11-6-8-12(19)9-7-11/h2-10H,1H3/b14-10-
InChIKeyJJUSXBHNLOGTCQ-UVTDQMKNSA-N
XLogP3.17
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(4-chlorophenyl)methylidene]-1-methylindol-3-one
CID 12825920
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
5-benzylidene-3-(3-chlorophenyl)-2-methylimidazol-4-one
CID 4060854
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
CID 6532748
3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one
CID 964242
1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one
CID 4209070
(3Z)-3-[(4-chlorophenyl)methylidene]-1-(2,6-dichlorophenyl)indol-2-one
CID 42600725
(3E)-1-acetyl-3-[(4-chlorophenyl)methylidene]indol-2-one
CID 135073524
(5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one
CID 11188186
(4E)-4-[(4-chlorophenyl)methylidene]-2-(2-methylphenyl)-1,3-oxazol-5-one
CID 2243834
(5Z)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-selenomorpholin-4-ylimidazol-4-one
CID 11751543

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione?
The IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione (CID 14468293) is (2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione.
What is the SMILES notation for (2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione?
The canonical SMILES for (2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione is CN1C2=N/C(=C\c3ccc(Cl)cc3)C(=O)N2C(=O)c2ccccc21.
What is the InChIKey of (2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione?
The InChIKey is JJUSXBHNLOGTCQ-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c1-21-15-5-3-2-4-13(15)16(23)22-17(24)14(20-18(21)22)10-11-6-8-12(19)9-7-11/h2-10H,1H3/b14-10-.
What are the key properties of (2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione?
(2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione has a molecular weight of 337.77 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-chlorophenyl)methylidene]-10-methylimidazo[2,1-b]quinazoline-3,5-dione is sourced from PubChem (CID 14468293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).