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

C20H20FN3O2 — CID 91149648

IUPAC5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1/C=N/c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H20FN3O2/c21-15-3-6-19-17(11-15)18(20(25)23-19)12-22-16-4-1-14(2-5-16)13-24-7-9-26-10-8-24/h1-6,11-12,18H,7-10,13H2,(H,23,25)/b22-12+
InChIKeyXVYIJWRZXWGDKE-WSDLNYQXSA-N
MW353.40 g/mol
LogP3.10
Rot. Bonds4

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

5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 91149648) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID91149648
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1/C=N/c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H20FN3O2/c21-15-3-6-19-17(11-15)18(20(25)23-19)12-22-16-4-1-14(2-5-16)13-24-7-9-26-10-8-24/h1-6,11-12,18H,7-10,13H2,(H,23,25)/b22-12+
InChIKeyXVYIJWRZXWGDKE-WSDLNYQXSA-N
XLogP3.10
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 91223892
5-chloro-3-[[4-(3-morpholin-4-ylpropylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91523176
5-fluoro-3-[[4-(oxolan-2-ylmethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91504086
6-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91423097
3-[(4-morpholin-4-ylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90901453
5-fluoro-3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-dihydroindol-2-one;dihydrochloride
CID 67837377
3-[[4-[3-(diethylamino)pyrrolidin-1-yl]-3-methylphenyl]iminomethyl]-5-fluoro-1,3-dihydroindol-2-one
CID 91429971
6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90873924
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
(5R)-1-[(4-fluorophenyl)methyl]-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7509804
3-[4-(morpholin-4-ylmethyl)phenyl]-1,3-dihydroindol-2-one
CID 90080531
3-[[4-[butyl(ethyl)amino]-3-fluorophenyl]iminomethyl]-5-fluoro-1,3-dihydroindol-2-one
CID 91343024

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one (CID 91149648) is 5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1/C=N/c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is XVYIJWRZXWGDKE-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-15-3-6-19-17(11-15)18(20(25)23-19)12-22-16-4-1-14(2-5-16)13-24-7-9-26-10-8-24/h1-6,11-12,18H,7-10,13H2,(H,23,25)/b22-12+.
What are the key properties of 5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one?
5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 353.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 91149648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).