(3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

C22H23N3O3 — CID 142669651

IUPAC(3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCC(Nc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccccc21)N1CCOCC1
InChIInChI=1S/C22H23N3O3/c1-14(25-8-10-27-11-9-25)23-16-6-7-17-15(12-16)13-28-21(17)20-18-4-2-3-5-19(18)24-22(20)26/h2-7,12,14,23H,8-11,13H2,1H3,(H,24,26)/b21-20+
InChIKeyGFNUSMABSVCZRT-QZQOTICOSA-N
MW377.44 g/mol
LogP3.13
Rot. Bonds3

About (3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

(3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (PubChem CID 142669651) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
PubChem CID142669651
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCC(Nc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccccc21)N1CCOCC1
InChIInChI=1S/C22H23N3O3/c1-14(25-8-10-27-11-9-25)23-16-6-7-17-15(12-16)13-28-21(17)20-18-4-2-3-5-19(18)24-22(20)26/h2-7,12,14,23H,8-11,13H2,1H3,(H,24,26)/b21-20+
InChIKeyGFNUSMABSVCZRT-QZQOTICOSA-N
XLogP3.13
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (CID 142669651) is (3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is CC(Nc1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccccc21)N1CCOCC1.
What is the InChIKey of (3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The InChIKey is GFNUSMABSVCZRT-QZQOTICOSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14(25-8-10-27-11-9-25)23-16-6-7-17-15(12-16)13-28-21(17)20-18-4-2-3-5-19(18)24-22(20)26/h2-7,12,14,23H,8-11,13H2,1H3,(H,24,26)/b21-20+.
What are the key properties of (3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
(3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one has a molecular weight of 377.44 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[5-(1-morpholin-4-ylethylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is sourced from PubChem (CID 142669651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).