5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one

C22H24FN3O2 — CID 141375492

IUPAC5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one
SMILESCN1CCN(CCOc2cccc(C=C3C(=O)Nc4ccc(F)cc43)c2)CC1
InChIInChI=1S/C22H24FN3O2/c1-25-7-9-26(10-8-25)11-12-28-18-4-2-3-16(13-18)14-20-19-15-17(23)5-6-21(19)24-22(20)27/h2-6,13-15H,7-12H2,1H3,(H,24,27)
InChIKeyNSEFXABJNDQFNI-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.94
Rot. Bonds5

About 5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one

5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one (PubChem CID 141375492) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one
PubChem CID141375492
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one
SMILESCN1CCN(CCOc2cccc(C=C3C(=O)Nc4ccc(F)cc43)c2)CC1
InChIInChI=1S/C22H24FN3O2/c1-25-7-9-26(10-8-25)11-12-28-18-4-2-3-16(13-18)14-20-19-15-17(23)5-6-21(19)24-22(20)27/h2-6,13-15H,7-12H2,1H3,(H,24,27)
InChIKeyNSEFXABJNDQFNI-UHFFFAOYSA-N
XLogP2.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 171130402
3-benzylidene-5-fluoro-1H-indol-2-one
CID 4245425
(3E)-3-[(3-ethoxyphenyl)methylidene]-5-methyl-1H-indol-2-one
CID 112979053
(3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one
CID 52946208
5-fluoro-3-[[3-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246047
N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 54759606
6-fluoro-3-[[3-(trifluoromethoxy)phenyl]methylidene]-1H-indol-2-one
CID 71245803
5-chloro-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one
CID 3252421
(3E)-3-[(3-fluorophenyl)methylidene]-2-oxo-1H-indole-5-carboxylic acid
CID 112979206
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
(3E)-5-fluoro-3-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-indol-2-one
CID 22500239
5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 3450009

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of 5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one (CID 141375492) is 5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for 5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one is CN1CCN(CCOc2cccc(C=C3C(=O)Nc4ccc(F)cc43)c2)CC1.
What is the InChIKey of 5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one?
The InChIKey is NSEFXABJNDQFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-25-7-9-26(10-8-25)11-12-28-18-4-2-3-16(13-18)14-20-19-15-17(23)5-6-21(19)24-22(20)27/h2-6,13-15H,7-12H2,1H3,(H,24,27).
What are the key properties of 5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one?
5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one has a molecular weight of 381.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 141375492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).