1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine

C26H24FN3O — CID 1276386

IUPAC1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine
SMILESFc1ccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)cc1
InChIInChI=1S/C26H24FN3O/c27-22-7-5-20(6-8-22)18-30-19-21(25-3-1-2-4-26(25)30)17-28-23-9-11-24(12-10-23)29-13-15-31-16-14-29/h1-12,17,19H,13-16,18H2/b28-17+
InChIKeyGDKQEIIXYUEAHX-OGLMXYFKSA-N
MW413.50 g/mol
LogP5.42
Rot. Bonds5

About 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine

1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 1276386) has the molecular formula C26H24FN3O and a molecular weight of 413.50 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID1276386
Molecular FormulaC26H24FN3O
Molecular Weight413.50 g/mol
Exact Mass413.19
IUPAC Name1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine
SMILESFc1ccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)cc1
InChIInChI=1S/C26H24FN3O/c27-22-7-5-20(6-8-22)18-30-19-21(25-3-1-2-4-26(25)30)17-28-23-9-11-24(12-10-23)29-13-15-31-16-14-29/h1-12,17,19H,13-16,18H2/b28-17+
InChIKeyGDKQEIIXYUEAHX-OGLMXYFKSA-N
XLogP5.42
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
CID 5420937
1-amino-3-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]thiourea
CID 86579605
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 3708342
2-[(1-benzylindol-3-yl)methylideneamino]anthracene-9,10-dione
CID 23476963
N-[(E)-[1-[(4-tert-butylphenyl)methyl]indol-3-yl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 71472944
17-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 3471568
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 126129820
2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]phenol
CID 135758569
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 785168
1-[(4-morpholin-4-ylphenyl)iminomethyl]naphthalen-2-ol
CID 790983
4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 24818544
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-morpholin-4-yl-3-phenylpropan-1-one
CID 42774287

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine (CID 1276386) is 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine is Fc1ccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)cc1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is GDKQEIIXYUEAHX-OGLMXYFKSA-N. The full InChI is InChI=1S/C26H24FN3O/c27-22-7-5-20(6-8-22)18-30-19-21(25-3-1-2-4-26(25)30)17-28-23-9-11-24(12-10-23)29-13-15-31-16-14-29/h1-12,17,19H,13-16,18H2/b28-17+.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine?
1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 413.50 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 1276386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).