2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine

C60H86N14O6 — CID 157279666

IUPAC2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine
SMILESCN1CCN(CCOc2ccc(N)c3cc[nH]c23)CC1.Nc1ccc(OCCN2CCCCC2)c2[nH]ccc12.Nc1ccc(OCCN2CCN(CCO)CC2)c2[nH]ccc12.Nc1ccc(OCCN2CCOCC2)c2[nH]ccc12
InChIInChI=1S/C16H24N4O2.C15H22N4O.C15H21N3O.C14H19N3O2/c17-14-1-2-15(16-13(14)3-4-18-16)22-12-10-20-7-5-19(6-8-20)9-11-21;1-18-6-8-19(9-7-18)10-11-20-14-3-2-13(16)12-4-5-17-15(12)14;16-13-4-5-14(15-12(13)6-7-17-15)19-11-10-18-8-2-1-3-9-18;15-12-1-2-13(14-11(12)3-4-16-14)19-10-7-17-5-8-18-9-6-17/h1-4,18,21H,5-12,17H2;2-5,17H,6-11,16H2,1H3;4-7,17H,1-3,8-11,16H2;1-4,16H,5-10,15H2
InChIKeyAZNADQLZOLRACA-UHFFFAOYSA-N
MW1099.44 g/mol
LogP6.19
Rot. Bonds18

About 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine

2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine (PubChem CID 157279666) has the molecular formula C60H86N14O6 and a molecular weight of 1099.44 g/mol. Its IUPAC name is 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine.

Molecular Properties

Compound Name2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine
PubChem CID157279666
Molecular FormulaC60H86N14O6
Molecular Weight1099.44 g/mol
Exact Mass1098.69
IUPAC Name2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine
SMILESCN1CCN(CCOc2ccc(N)c3cc[nH]c23)CC1.Nc1ccc(OCCN2CCCCC2)c2[nH]ccc12.Nc1ccc(OCCN2CCN(CCO)CC2)c2[nH]ccc12.Nc1ccc(OCCN2CCOCC2)c2[nH]ccc12
InChIInChI=1S/C16H24N4O2.C15H22N4O.C15H21N3O.C14H19N3O2/c17-14-1-2-15(16-13(14)3-4-18-16)22-12-10-20-7-5-19(6-8-20)9-11-21;1-18-6-8-19(9-7-18)10-11-20-14-3-2-13(16)12-4-5-17-15(12)14;16-13-4-5-14(15-12(13)6-7-17-15)19-11-10-18-8-2-1-3-9-18;15-12-1-2-13(14-11(12)3-4-16-14)19-10-7-17-5-8-18-9-6-17/h1-4,18,21H,5-12,17H2;2-5,17H,6-11,16H2,1H3;4-7,17H,1-3,8-11,16H2;1-4,16H,5-10,15H2
InChIKeyAZNADQLZOLRACA-UHFFFAOYSA-N
XLogP6.19
TPSA253.06 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001099.44
LogP ≤ 56.19
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-(6-methoxyquinolin-4-yl)-2-[4-[(7-phenylmethoxy-1H-indol-2-yl)methylamino]piperidin-1-yl]ethanol
CID 44535667
3-[[6-[bis(5-phenylmethoxy-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-phenylmethoxy-1H-indol-3-yl)methyl]-5-phenylmethoxy-1H-indole
CID 127035684
3-fluoro-5-[2-[3-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1,2-dihydro-1,7-naphthyridin-4-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
CID 145247768
5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-indol-2-yl]-1-[2-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenoxy]ethyl-methylamino]pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 145254930
yazh-121D
CID 168328914
6-methoxy-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
CID 67235844
4-[1-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)piperidin-4-yl]morpholine
CID 67235977
6-methoxy-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-3-yl-9H-pyrido[3,4-b]indole
CID 67236777
7-[2-(2-piperidin-1-ylethylamino)ethoxy]-1H-indol-4-amine
CID 67987192
7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine
CID 67987209
2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol
CID 67987210
2,10-Difluoro-6-[2-(3-methylpiperazin-1-yl)ethoxy]-5,7-dihydroindolo[2,3-b]carbazole;6-[2-(3,5-dimethylpiperazin-1-yl)ethoxy]-2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazole
CID 68388389

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine?
The IUPAC name of 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine (CID 157279666) is 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine.
What is the SMILES notation for 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine?
The canonical SMILES for 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine is CN1CCN(CCOc2ccc(N)c3cc[nH]c23)CC1.Nc1ccc(OCCN2CCCCC2)c2[nH]ccc12.Nc1ccc(OCCN2CCN(CCO)CC2)c2[nH]ccc12.Nc1ccc(OCCN2CCOCC2)c2[nH]ccc12.
What is the InChIKey of 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine?
The InChIKey is AZNADQLZOLRACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.C15H22N4O.C15H21N3O.C14H19N3O2/c17-14-1-2-15(16-13(14)3-4-18-16)22-12-10-20-7-5-19(6-8-20)9-11-21;1-18-6-8-19(9-7-18)10-11-20-14-3-2-13(16)12-4-5-17-15(12)14;16-13-4-5-14(15-12(13)6-7-17-15)19-11-10-18-8-2-1-3-9-18;15-12-1-2-13(14-11(12)3-4-16-14)19-10-7-17-5-8-18-9-6-17/h1-4,18,21H,5-12,17H2;2-5,17H,6-11,16H2,1H3;4-7,17H,1-3,8-11,16H2;1-4,16H,5-10,15H2.
What are the key properties of 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine?
2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine has a molecular weight of 1099.44 g/mol, XLogP of 6.19, 18 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-amino-1H-indol-7-yl)oxy]ethyl]piperazin-1-yl]ethanol;7-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-indol-4-amine;7-(2-morpholin-4-ylethoxy)-1H-indol-4-amine;7-(2-piperidin-1-ylethoxy)-1H-indol-4-amine is sourced from PubChem (CID 157279666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).