(4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one

C23H19N3O3 — CID 5292750

IUPAC(4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C/c1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C23H19N3O3/c27-23-20(25-22(29-23)16-6-2-1-3-7-16)15-18-14-17-8-4-5-9-19(17)24-21(18)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2/b20-15+
InChIKeyPFIRMURUFPKBII-HMMYKYKNSA-N
MW385.42 g/mol
LogP3.42
Rot. Bonds3

About (4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one

(4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 5292750) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is (4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID5292750
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name(4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=N/C1=C/c1cc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C23H19N3O3/c27-23-20(25-22(29-23)16-6-2-1-3-7-16)15-18-14-17-8-4-5-9-19(17)24-21(18)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2/b20-15+
InChIKeyPFIRMURUFPKBII-HMMYKYKNSA-N
XLogP3.42
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (CID 5292750) is (4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=N/C1=C/c1cc2ccccc2nc1N1CCOCC1.
What is the InChIKey of (4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is PFIRMURUFPKBII-HMMYKYKNSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-23-20(25-22(29-23)16-6-2-1-3-7-16)15-18-14-17-8-4-5-9-19(17)24-21(18)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2/b20-15+.
What are the key properties of (4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
(4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 385.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 5292750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).