(3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

C23H24FN3O3 — CID 10024479

IUPAC(3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCN(CCN1CCOCC1)c1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C23H24FN3O3/c1-26(6-7-27-8-10-29-11-9-27)17-3-4-18-15(12-17)14-30-22(18)21-19-13-16(24)2-5-20(19)25-23(21)28/h2-5,12-13H,6-11,14H2,1H3,(H,25,28)/b22-21+
InChIKeyMNCFKLDOLYIOQY-QURGRASLSA-N
MW409.46 g/mol
LogP2.94
Rot. Bonds4

About (3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one

(3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (PubChem CID 10024479) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is (3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
PubChem CID10024479
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name(3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
SMILESCN(CCN1CCOCC1)c1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C23H24FN3O3/c1-26(6-7-27-8-10-29-11-9-27)17-3-4-18-15(12-17)14-30-22(18)21-19-13-16(24)2-5-20(19)25-23(21)28/h2-5,12-13H,6-11,14H2,1H3,(H,25,28)/b22-21+
InChIKeyMNCFKLDOLYIOQY-QURGRASLSA-N
XLogP2.94
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(3-oxo-1H-2-benzofuran-5-yl)piperidine-1-carboxamide
CID 89626948
N-[(3R)-1-[1-[(4-fluoro-2-methylphenyl)methyl]-3-oxo-1H-2-benzofuran-5-yl]pyrrolidin-3-yl]acetamide
CID 168274969
N-[(3R)-1-[1-[(3,4-difluorophenyl)methyl]-3-oxo-1H-2-benzofuran-5-yl]pyrrolidin-3-yl]acetamide
CID 168294566
3-[(4-fluoro-2-methylphenyl)methyl]-6-piperazin-1-yl-3H-2-benzofuran-1-one
CID 175498472
3-[(5-fluoro-2-methylphenyl)methyl]-6-piperazin-1-yl-3H-2-benzofuran-1-one
CID 175498630
3-[(2,5-difluorophenyl)methyl]-6-piperazin-1-yl-3H-2-benzofuran-1-one
CID 178310875
2-(2,6-Dioxopiperidin-3-yl)-4-[4-(1-ethoxyethenyl)anilino]isoindole-1,3-dione
CID 90666683
(3S)-N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-3-methyl-3-(2-methylpropoxy)-2-oxo-1H-indole-4-carboxamide
CID 177662711
(3S)-N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-3-methyl-2-oxo-3-propan-2-yloxy-1H-indole-4-carboxamide
CID 177665715
(3E)-5-fluoro-3-[5-(3-piperidin-1-ylpropylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 9978739
(3E)-3-[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-3H-2-benzofuran-1-ylidene]-5-fluoro-1H-indol-2-one
CID 9979705
(3E)-6-fluoro-3-[5-(methylamino)-3H-2-benzofuran-1-ylidene]-1H-indol-2-one
CID 9994700

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one (CID 10024479) is (3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is CN(CCN1CCOCC1)c1ccc2c(c1)CO/C2=C1/C(=O)Nc2ccc(F)cc21.
What is the InChIKey of (3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
The InChIKey is MNCFKLDOLYIOQY-QURGRASLSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-26(6-7-27-8-10-29-11-9-27)17-3-4-18-15(12-17)14-30-22(18)21-19-13-16(24)2-5-20(19)25-23(21)28/h2-5,12-13H,6-11,14H2,1H3,(H,25,28)/b22-21+.
What are the key properties of (3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one?
(3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one has a molecular weight of 409.46 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-3-[5-[methyl(2-morpholin-4-ylethyl)amino]-3H-2-benzofuran-1-ylidene]-1H-indol-2-one is sourced from PubChem (CID 10024479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).