(3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one

C20H24FN3O4 — CID 24964165

IUPAC(3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(F)ccc2/C1=C1/C=C(N2CCN(CCOCCO)CC2)CO1
InChIInChI=1S/C20H24FN3O4/c21-14-1-2-16-17(11-14)22-20(26)19(16)18-12-15(13-28-18)24-5-3-23(4-6-24)7-9-27-10-8-25/h1-2,11-12,25H,3-10,13H2,(H,22,26)/b19-18+
InChIKeyTUQGMSWQFHEERQ-VHEBQXMUSA-N
MW389.43 g/mol
LogP1.03
Rot. Bonds6

About (3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one

(3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one (PubChem CID 24964165) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is (3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one
PubChem CID24964165
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name(3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(F)ccc2/C1=C1/C=C(N2CCN(CCOCCO)CC2)CO1
InChIInChI=1S/C20H24FN3O4/c21-14-1-2-16-17(11-14)22-20(26)19(16)18-12-15(13-28-18)24-5-3-23(4-6-24)7-9-27-10-8-25/h1-2,11-12,25H,3-10,13H2,(H,22,26)/b19-18+
InChIKeyTUQGMSWQFHEERQ-VHEBQXMUSA-N
XLogP1.03
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one (CID 24964165) is (3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one is O=C1Nc2cc(F)ccc2/C1=C1/C=C(N2CCN(CCOCCO)CC2)CO1.
What is the InChIKey of (3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one?
The InChIKey is TUQGMSWQFHEERQ-VHEBQXMUSA-N. The full InChI is InChI=1S/C20H24FN3O4/c21-14-1-2-16-17(11-14)22-20(26)19(16)18-12-15(13-28-18)24-5-3-23(4-6-24)7-9-27-10-8-25/h1-2,11-12,25H,3-10,13H2,(H,22,26)/b19-18+.
What are the key properties of (3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one?
(3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one has a molecular weight of 389.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-fluoro-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-2H-furan-5-ylidene]-1H-indol-2-one is sourced from PubChem (CID 24964165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).