8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

C25H29N5O — CID 146311607

IUPAC8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOCCn1ccc2c(-c3c(C)cc4c(c3C)-n3c(C)nnc3C(C)(C)N4)cccc21
InChIInChI=1S/C25H29N5O/c1-15-14-20-23(30-17(3)27-28-24(30)25(4,5)26-20)16(2)22(15)19-8-7-9-21-18(19)10-11-29(21)12-13-31-6/h7-11,14,26H,12-13H2,1-6H3
InChIKeyJKXKYFPWCNZIPK-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.12
Rot. Bonds4

About 8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline

8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 146311607) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID146311607
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCOCCn1ccc2c(-c3c(C)cc4c(c3C)-n3c(C)nnc3C(C)(C)N4)cccc21
InChIInChI=1S/C25H29N5O/c1-15-14-20-23(30-17(3)27-28-24(30)25(4,5)26-20)16(2)22(15)19-8-7-9-21-18(19)10-11-29(21)12-13-31-6/h7-11,14,26H,12-13H2,1-6H3
InChIKeyJKXKYFPWCNZIPK-UHFFFAOYSA-N
XLogP5.12
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline (CID 146311607) is 8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is COCCn1ccc2c(-c3c(C)cc4c(c3C)-n3c(C)nnc3C(C)(C)N4)cccc21.
What is the InChIKey of 8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is JKXKYFPWCNZIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-15-14-20-23(30-17(3)27-28-24(30)25(4,5)26-20)16(2)22(15)19-8-7-9-21-18(19)10-11-29(21)12-13-31-6/h7-11,14,26H,12-13H2,1-6H3.
What are the key properties of 8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline?
8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 415.54 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-methoxyethyl)indol-4-yl]-1,4,4,7,9-pentamethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 146311607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).