(4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one

C24H21N3O3 — CID 1327487

IUPAC(4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCc1cccc2cc(/C=C3\N=C(c4ccccc4)OC3=O)c(N3CCOCC3)nc12
InChIInChI=1S/C24H21N3O3/c1-16-6-5-9-18-14-19(22(26-21(16)18)27-10-12-29-13-11-27)15-20-24(28)30-23(25-20)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3/b20-15-
InChIKeyMCFDTXJPVWPIPV-HKWRFOASSA-N
MW399.45 g/mol
LogP3.72
Rot. Bonds3

About (4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one

(4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 1327487) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is (4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID1327487
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name(4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCc1cccc2cc(/C=C3\N=C(c4ccccc4)OC3=O)c(N3CCOCC3)nc12
InChIInChI=1S/C24H21N3O3/c1-16-6-5-9-18-14-19(22(26-21(16)18)27-10-12-29-13-11-27)15-20-24(28)30-23(25-20)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3/b20-15-
InChIKeyMCFDTXJPVWPIPV-HKWRFOASSA-N
XLogP3.72
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.72
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 (4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (CID 1327487) is (4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is Cc1cccc2cc(/C=C3\N=C(c4ccccc4)OC3=O)c(N3CCOCC3)nc12.
What is the InChIKey of (4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is MCFDTXJPVWPIPV-HKWRFOASSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-6-5-9-18-14-19(22(26-21(16)18)27-10-12-29-13-11-27)15-20-24(28)30-23(25-20)17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3/b20-15-.
What are the key properties of (4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 399.45 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 1327487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).