7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol

C22H23N3O3 — CID 91037891

IUPAC7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol
SMILESOc1[nH]cc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c12
InChIInChI=1S/C22H23N3O3/c26-22-21-15(14-23-22)2-1-3-18(21)20-13-16-12-17(4-5-19(16)24-20)28-11-8-25-6-9-27-10-7-25/h1-5,12-14,23-24,26H,6-11H2
InChIKeyJTLXDZPYGHILTL-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.73
Rot. Bonds5

About 7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol

7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol (PubChem CID 91037891) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol.

Molecular Properties

Compound Name7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol
PubChem CID91037891
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol
SMILESOc1[nH]cc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c12
InChIInChI=1S/C22H23N3O3/c26-22-21-15(14-23-22)2-1-3-18(21)20-13-16-12-17(4-5-19(16)24-20)28-11-8-25-6-9-27-10-7-25/h1-5,12-14,23-24,26H,6-11H2
InChIKeyJTLXDZPYGHILTL-UHFFFAOYSA-N
XLogP3.73
TPSA73.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2,3-dihydroisoindol-1-one
CID 16666861
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine
CID 18436974
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
3-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668240
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
ethane;3-[6-(2-morpholin-4-ylethoxy)quinolin-2-yl]-1H-indol-2-ol
CID 136659087
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
methyl (2S)-2-[[5-(2-morpholin-4-ylethoxy)-1H-indole-2-carbonyl]amino]-3-phenylpropanoate
CID 20604417
4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine
CID 141374478
2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid
CID 58279088
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277

Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol?
The IUPAC name of 7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol (CID 91037891) is 7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol.
What is the SMILES notation for 7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol?
The canonical SMILES for 7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol is Oc1[nH]cc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c12.
What is the InChIKey of 7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol?
The InChIKey is JTLXDZPYGHILTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-22-21-15(14-23-22)2-1-3-18(21)20-13-16-12-17(4-5-19(16)24-20)28-11-8-25-6-9-27-10-7-25/h1-5,12-14,23-24,26H,6-11H2.
What are the key properties of 7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol?
7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol has a molecular weight of 377.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-2H-isoindol-1-ol is sourced from PubChem (CID 91037891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).