(E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine

C24H28N4O2 — CID 143437694

IUPAC(E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine
SMILESC/C(=C\C(=N/C(C)OCc1ccccn1)c1ccc2cc[nH]c2c1)N1CCOCC1
InChIInChI=1S/C24H28N4O2/c1-18(28-11-13-29-14-12-28)15-24(21-7-6-20-8-10-26-23(20)16-21)27-19(2)30-17-22-5-3-4-9-25-22/h3-10,15-16,19,26H,11-14,17H2,1-2H3/b18-15+,27-24+
InChIKeyFSDSRKUIZIUJIQ-ANRKDDBQSA-N
MW404.51 g/mol
LogP4.15
Rot. Bonds7

About (E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine

(E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine (PubChem CID 143437694) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine.

Molecular Properties

Compound Name(E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine
PubChem CID143437694
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine
SMILESC/C(=C\C(=N/C(C)OCc1ccccn1)c1ccc2cc[nH]c2c1)N1CCOCC1
InChIInChI=1S/C24H28N4O2/c1-18(28-11-13-29-14-12-28)15-24(21-7-6-20-8-10-26-23(20)16-21)27-19(2)30-17-22-5-3-4-9-25-22/h3-10,15-16,19,26H,11-14,17H2,1-2H3/b18-15+,27-24+
InChIKeyFSDSRKUIZIUJIQ-ANRKDDBQSA-N
XLogP4.15
TPSA62.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine with MolForge

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Related Compounds

1-(1H-indol-5-yl)-2-[2-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethanone
CID 58060244
N-(2-pyridin-2-ylethyl)-1H-indole-6-carboxamide
CID 22139228
methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
CID 143450374
4-[1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]morpholine
CID 135119659
(1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol
CID 122470706
2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
(10R,11S)-10,11-dihydroxy-14-(1H-indole-6-carbonyl)-3-(pyridin-2-ylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one
CID 155993100
6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 127245807
1-[2-hydroxy-4-(pyridin-2-ylmethoxy)phenyl]-7-(1H-indol-6-yl)hepta-1,6-diene-3,5-dione
CID 142718843
ethyl formate;1H-indol-5-yl(morpholin-4-yl)methanone
CID 174808821
2-[2-methyl-5-(pyridin-2-ylmethyl)anilino]-1-morpholin-4-ylpropan-1-one
CID 167964780
morpholin-4-yl-[4-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]phenyl]methanone
CID 159923241

Frequently Asked Questions

What is the IUPAC name of (E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine?
The IUPAC name of (E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine (CID 143437694) is (E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine.
What is the SMILES notation for (E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine?
The canonical SMILES for (E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine is C/C(=C\C(=N/C(C)OCc1ccccn1)c1ccc2cc[nH]c2c1)N1CCOCC1.
What is the InChIKey of (E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine?
The InChIKey is FSDSRKUIZIUJIQ-ANRKDDBQSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-18(28-11-13-29-14-12-28)15-24(21-7-6-20-8-10-26-23(20)16-21)27-19(2)30-17-22-5-3-4-9-25-22/h3-10,15-16,19,26H,11-14,17H2,1-2H3/b18-15+,27-24+.
What are the key properties of (E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine?
(E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine has a molecular weight of 404.51 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-1-(1H-indol-6-yl)-3-morpholin-4-yl-N-[1-(pyridin-2-ylmethoxy)ethyl]but-2-en-1-imine is sourced from PubChem (CID 143437694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).