2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol

C25H32N4O4 — CID 67973810

IUPAC2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol
SMILESCc1[nH]c2c(C(Oc3ccc(N)c4c(C)c(C)n(C)c34)C(O)OCCO)ccc(N)c2c1C
InChIInChI=1S/C25H32N4O4/c1-12-14(3)28-22-16(6-7-17(26)20(12)22)24(25(31)32-11-10-30)33-19-9-8-18(27)21-13(2)15(4)29(5)23(19)21/h6-9,24-25,28,30-31H,10-11,26-27H2,1-5H3
InChIKeyPOGXWXYGPCXSLI-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.51
Rot. Bonds7

About 2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol

2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol (PubChem CID 67973810) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Name2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol
PubChem CID67973810
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol
SMILESCc1[nH]c2c(C(Oc3ccc(N)c4c(C)c(C)n(C)c34)C(O)OCCO)ccc(N)c2c1C
InChIInChI=1S/C25H32N4O4/c1-12-14(3)28-22-16(6-7-17(26)20(12)22)24(25(31)32-11-10-30)33-19-9-8-18(27)21-13(2)15(4)29(5)23(19)21/h6-9,24-25,28,30-31H,10-11,26-27H2,1-5H3
InChIKeyPOGXWXYGPCXSLI-UHFFFAOYSA-N
XLogP3.51
TPSA131.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol?
The IUPAC name of 2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol (CID 67973810) is 2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for 2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol?
The canonical SMILES for 2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol is Cc1[nH]c2c(C(Oc3ccc(N)c4c(C)c(C)n(C)c34)C(O)OCCO)ccc(N)c2c1C.
What is the InChIKey of 2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol?
The InChIKey is POGXWXYGPCXSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-12-14(3)28-22-16(6-7-17(26)20(12)22)24(25(31)32-11-10-30)33-19-9-8-18(27)21-13(2)15(4)29(5)23(19)21/h6-9,24-25,28,30-31H,10-11,26-27H2,1-5H3.
What are the key properties of 2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol?
2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol has a molecular weight of 452.56 g/mol, XLogP of 3.51, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,3-dimethyl-1H-indol-7-yl)-2-(4-amino-1,2,3-trimethylindol-7-yl)oxy-1-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 67973810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).