5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

C22H24F2N4O2 — CID 90690394

IUPAC5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1/C=N/c1ccc(NCCCN2CCOCC2)c(F)c1
InChIInChI=1S/C22H24F2N4O2/c23-15-2-4-20-17(12-15)18(22(29)27-20)14-26-16-3-5-21(19(24)13-16)25-6-1-7-28-8-10-30-11-9-28/h2-5,12-14,18,25H,1,6-11H2,(H,27,29)/b26-14+
InChIKeyDZDIUPYAXVSDFS-VULFUBBASA-N
MW414.46 g/mol
LogP3.54
Rot. Bonds7

About 5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one

5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 90690394) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID90690394
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1/C=N/c1ccc(NCCCN2CCOCC2)c(F)c1
InChIInChI=1S/C22H24F2N4O2/c23-15-2-4-20-17(12-15)18(22(29)27-20)14-26-16-3-5-21(19(24)13-16)25-6-1-7-28-8-10-30-11-9-28/h2-5,12-14,18,25H,1,6-11H2,(H,27,29)/b26-14+
InChIKeyDZDIUPYAXVSDFS-VULFUBBASA-N
XLogP3.54
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 90690394) is 5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1/C=N/c1ccc(NCCCN2CCOCC2)c(F)c1.
What is the InChIKey of 5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is DZDIUPYAXVSDFS-VULFUBBASA-N. The full InChI is InChI=1S/C22H24F2N4O2/c23-15-2-4-20-17(12-15)18(22(29)27-20)14-26-16-3-5-21(19(24)13-16)25-6-1-7-28-8-10-30-11-9-28/h2-5,12-14,18,25H,1,6-11H2,(H,27,29)/b26-14+.
What are the key properties of 5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 414.46 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[3-fluoro-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 90690394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).