(1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol

C27H32N2O4 — CID 122470706

IUPAC(1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol
SMILESOC(/C=C/c1ccc2cc[nH]c2c1)CC(O)/C=C/c1ccccc1OCCN1CCOCC1
InChIInChI=1S/C27H32N2O4/c30-24(9-6-21-5-7-22-11-12-28-26(22)19-21)20-25(31)10-8-23-3-1-2-4-27(23)33-18-15-29-13-16-32-17-14-29/h1-12,19,24-25,28,30-31H,13-18,20H2/b9-6+,10-8+
InChIKeyHURDFBLBTWYMFS-OAMUUVBCSA-N
MW448.56 g/mol
LogP3.72
Rot. Bonds10

About (1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol

(1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol (PubChem CID 122470706) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is (1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol.

Molecular Properties

Compound Name(1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol
PubChem CID122470706
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name(1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol
SMILESOC(/C=C/c1ccc2cc[nH]c2c1)CC(O)/C=C/c1ccccc1OCCN1CCOCC1
InChIInChI=1S/C27H32N2O4/c30-24(9-6-21-5-7-22-11-12-28-26(22)19-21)20-25(31)10-8-23-3-1-2-4-27(23)33-18-15-29-13-16-32-17-14-29/h1-12,19,24-25,28,30-31H,13-18,20H2/b9-6+,10-8+
InChIKeyHURDFBLBTWYMFS-OAMUUVBCSA-N
XLogP3.72
TPSA77.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-indol-6-yl)-7-[2-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 142718885
N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]-1H-indole-6-carboxamide
CID 84561960
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168599804
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
ethane;3-[6-(2-morpholin-4-ylethoxy)quinolin-2-yl]-1H-indol-2-ol
CID 136659087
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169383008
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177

Frequently Asked Questions

What is the IUPAC name of (1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol?
The IUPAC name of (1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol (CID 122470706) is (1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol.
What is the SMILES notation for (1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol?
The canonical SMILES for (1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol is OC(/C=C/c1ccc2cc[nH]c2c1)CC(O)/C=C/c1ccccc1OCCN1CCOCC1.
What is the InChIKey of (1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol?
The InChIKey is HURDFBLBTWYMFS-OAMUUVBCSA-N. The full InChI is InChI=1S/C27H32N2O4/c30-24(9-6-21-5-7-22-11-12-28-26(22)19-21)20-25(31)10-8-23-3-1-2-4-27(23)33-18-15-29-13-16-32-17-14-29/h1-12,19,24-25,28,30-31H,13-18,20H2/b9-6+,10-8+.
What are the key properties of (1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol?
(1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol has a molecular weight of 448.56 g/mol, XLogP of 3.72, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,6E)-1-(1H-indol-6-yl)-7-[2-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-diol is sourced from PubChem (CID 122470706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).