(4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one

C24H20ClN3O3 — CID 17101087

IUPAC(4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc2nc(N3CCOCC3)c(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)cc2c1
InChIInChI=1S/C24H20ClN3O3/c1-15-2-7-20-17(12-15)13-18(22(26-20)28-8-10-30-11-9-28)14-21-24(29)31-23(27-21)16-3-5-19(25)6-4-16/h2-7,12-14H,8-11H2,1H3/b21-14+
InChIKeyYGPGIBRZMREKPL-KGENOOAVSA-N
MW433.90 g/mol
LogP4.38
Rot. Bonds3

About (4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one

(4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one (PubChem CID 17101087) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is (4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one
PubChem CID17101087
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name(4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one
SMILESCc1ccc2nc(N3CCOCC3)c(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)cc2c1
InChIInChI=1S/C24H20ClN3O3/c1-15-2-7-20-17(12-15)13-18(22(26-20)28-8-10-30-11-9-28)14-21-24(29)31-23(27-21)16-3-5-19(25)6-4-16/h2-7,12-14H,8-11H2,1H3/b21-14+
InChIKeyYGPGIBRZMREKPL-KGENOOAVSA-N
XLogP4.38
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.38
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)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one (CID 17101087) is (4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one is Cc1ccc2nc(N3CCOCC3)c(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)cc2c1.
What is the InChIKey of (4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one?
The InChIKey is YGPGIBRZMREKPL-KGENOOAVSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-15-2-7-20-17(12-15)13-18(22(26-20)28-8-10-30-11-9-28)14-21-24(29)31-23(27-21)16-3-5-19(25)6-4-16/h2-7,12-14H,8-11H2,1H3/b21-14+.
What are the key properties of (4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one?
(4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one has a molecular weight of 433.90 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(4-chlorophenyl)-4-[(6-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 17101087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).