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

C23H27FN4O2 — CID 90685522

IUPAC4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cc(/N=C/C2C(=O)Nc3cccc(F)c32)ccc1NCCCN1CCOCC1
InChIInChI=1S/C23H27FN4O2/c1-16-14-17(6-7-20(16)25-8-3-9-28-10-12-30-13-11-28)26-15-18-22-19(24)4-2-5-21(22)27-23(18)29/h2,4-7,14-15,18,25H,3,8-13H2,1H3,(H,27,29)/b26-15+
InChIKeyANOGLEVCKSYDOC-CVKSISIWSA-N
MW410.49 g/mol
LogP3.71
Rot. Bonds7

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

4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 90685522) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID90685522
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESCc1cc(/N=C/C2C(=O)Nc3cccc(F)c32)ccc1NCCCN1CCOCC1
InChIInChI=1S/C23H27FN4O2/c1-16-14-17(6-7-20(16)25-8-3-9-28-10-12-30-13-11-28)26-15-18-22-19(24)4-2-5-21(22)27-23(18)29/h2,4-7,14-15,18,25H,3,8-13H2,1H3,(H,27,29)/b26-15+
InChIKeyANOGLEVCKSYDOC-CVKSISIWSA-N
XLogP3.71
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.71
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 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 90685522) is 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is Cc1cc(/N=C/C2C(=O)Nc3cccc(F)c32)ccc1NCCCN1CCOCC1.
What is the InChIKey of 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is ANOGLEVCKSYDOC-CVKSISIWSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-16-14-17(6-7-20(16)25-8-3-9-28-10-12-30-13-11-28)26-15-18-22-19(24)4-2-5-21(22)27-23(18)29/h2,4-7,14-15,18,25H,3,8-13H2,1H3,(H,27,29)/b26-15+.
What are the key properties of 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 410.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 90685522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).