ethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate

C27H25N3O5 — CID 24501701

IUPACethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2cc3ccccc3nc2N2CCOCC2)C1=O
InChIInChI=1S/C27H25N3O5/c1-2-34-27(32)23-24(31)22(35-26(23)28-20-9-4-3-5-10-20)17-19-16-18-8-6-7-11-21(18)29-25(19)30-12-14-33-15-13-30/h3-11,16-17,28H,2,12-15H2,1H3/b22-17-
InChIKeyXVFBSPZUXCZJDU-XLNRJJMWSA-N
MW471.51 g/mol
LogP3.90
Rot. Bonds6

About ethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate

ethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate (PubChem CID 24501701) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is ethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate
PubChem CID24501701
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Nameethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2cc3ccccc3nc2N2CCOCC2)C1=O
InChIInChI=1S/C27H25N3O5/c1-2-34-27(32)23-24(31)22(35-26(23)28-20-9-4-3-5-10-20)17-19-16-18-8-6-7-11-21(18)29-25(19)30-12-14-33-15-13-30/h3-11,16-17,28H,2,12-15H2,1H3/b22-17-
InChIKeyXVFBSPZUXCZJDU-XLNRJJMWSA-N
XLogP3.90
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze ethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate with MolForge

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Related Compounds

ethyl (5Z)-2-anilino-5-[(1-methylpyrazol-4-yl)methylidene]-4-oxofuran-3-carboxylate
CID 18141918
ethyl 2-anilino-5-[(4-hydroxy-3-methylphenyl)methylidene]-4-oxofuran-3-carboxylate
CID 142342702
ethyl (5Z)-2-anilino-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxofuran-3-carboxylate
CID 24501687
ethyl (5E)-2-anilino-5-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]-4-oxofuran-3-carboxylate
CID 45119619
ethyl (5Z)-2-anilino-5-[(7-chloro-1,3-benzodioxol-5-yl)methylidene]-4-oxofuran-3-carboxylate
CID 18092715
(4E)-4-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5292750
ethyl (5Z)-2-anilino-5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxofuran-3-carboxylate
CID 24501700
ethyl (5Z)-2-anilino-5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-4-oxofuran-3-carboxylate
CID 24501688
ethyl 2-anilino-6-methyl-4-morpholin-4-ylfuro[2,3-d]pyrimidine-5-carboxylate
CID 52940806
(5Z)-3-(2-methoxyethyl)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 8721860
(5Z)-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1396739
(Z)-4-(1,3-benzothiazol-2-yl)-5-(2-morpholin-4-ylquinolin-3-yl)pent-4-enoic acid
CID 92945399

Frequently Asked Questions

What is the IUPAC name of ethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate?
The IUPAC name of ethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate (CID 24501701) is ethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate.
What is the SMILES notation for ethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate?
The canonical SMILES for ethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate is CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2cc3ccccc3nc2N2CCOCC2)C1=O.
What is the InChIKey of ethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate?
The InChIKey is XVFBSPZUXCZJDU-XLNRJJMWSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-2-34-27(32)23-24(31)22(35-26(23)28-20-9-4-3-5-10-20)17-19-16-18-8-6-7-11-21(18)29-25(19)30-12-14-33-15-13-30/h3-11,16-17,28H,2,12-15H2,1H3/b22-17-.
What are the key properties of ethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate?
ethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate has a molecular weight of 471.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5Z)-2-anilino-5-[(2-morpholin-4-ylquinolin-3-yl)methylidene]-4-oxofuran-3-carboxylate is sourced from PubChem (CID 24501701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).