(2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one

C18H18ClNO4 — CID 23111201

IUPAC(2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one
SMILESCOc1cccc2cc(/C(Cl)=C/C=C/C(=O)N3CCOCC3)oc12
InChIInChI=1S/C18H18ClNO4/c1-22-15-6-2-4-13-12-16(24-18(13)15)14(19)5-3-7-17(21)20-8-10-23-11-9-20/h2-7,12H,8-11H2,1H3/b7-3+,14-5-
InChIKeyVPAFNWPFKUFOTF-QBRRSIRKSA-N
MW347.80 g/mol
LogP3.44
Rot. Bonds4

About (2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one

(2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one (PubChem CID 23111201) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is (2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one
PubChem CID23111201
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name(2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one
SMILESCOc1cccc2cc(/C(Cl)=C/C=C/C(=O)N3CCOCC3)oc12
InChIInChI=1S/C18H18ClNO4/c1-22-15-6-2-4-13-12-16(24-18(13)15)14(19)5-3-7-17(21)20-8-10-23-11-9-20/h2-7,12H,8-11H2,1H3/b7-3+,14-5-
InChIKeyVPAFNWPFKUFOTF-QBRRSIRKSA-N
XLogP3.44
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-morpholin-4-yl-3-[7-(1-phenylethoxy)-1-benzofuran-2-yl]but-2-en-1-one
CID 69069855
4-[[2-(4-morpholin-4-yl-4-oxobut-2-en-2-yl)-1-benzofuran-7-yl]oxy]butanoic acid
CID 69063657
1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine
CID 21258113
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 78892364
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-(3-ethyl-2-morpholin-4-ylpentyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869073
(7-methoxy-1-benzofuran-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
CID 134160907
(E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one
CID 8830594
(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409
7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122318745
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one (CID 23111201) is (2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one is COc1cccc2cc(/C(Cl)=C/C=C/C(=O)N3CCOCC3)oc12.
What is the InChIKey of (2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one?
The InChIKey is VPAFNWPFKUFOTF-QBRRSIRKSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-22-15-6-2-4-13-12-16(24-18(13)15)14(19)5-3-7-17(21)20-8-10-23-11-9-20/h2-7,12H,8-11H2,1H3/b7-3+,14-5-.
What are the key properties of (2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one?
(2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one has a molecular weight of 347.80 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-chloro-5-(7-methoxy-1-benzofuran-2-yl)-1-morpholin-4-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 23111201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).