6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline

C26H25N3O — CID 2130274

IUPAC6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline
SMILESCc1ccc(C(C)C)c(OCCn2c3ccccc3c3nc4ccccc4nc32)c1
InChIInChI=1S/C26H25N3O/c1-17(2)19-13-12-18(3)16-24(19)30-15-14-29-23-11-7-4-8-20(23)25-26(29)28-22-10-6-5-9-21(22)27-25/h4-13,16-17H,14-15H2,1-3H3
InChIKeyULLWJEVSFQHXAG-UHFFFAOYSA-N
MW395.51 g/mol
LogP6.25
Rot. Bonds5

About 6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline

6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline (PubChem CID 2130274) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline
PubChem CID2130274
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline
SMILESCc1ccc(C(C)C)c(OCCn2c3ccccc3c3nc4ccccc4nc32)c1
InChIInChI=1S/C26H25N3O/c1-17(2)19-13-12-18(3)16-24(19)30-15-14-29-23-11-7-4-8-20(23)25-26(29)28-22-10-6-5-9-21(22)27-25/h4-13,16-17H,14-15H2,1-3H3
InChIKeyULLWJEVSFQHXAG-UHFFFAOYSA-N
XLogP6.25
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline?
The IUPAC name of 6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline (CID 2130274) is 6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline?
The canonical SMILES for 6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline is Cc1ccc(C(C)C)c(OCCn2c3ccccc3c3nc4ccccc4nc32)c1.
What is the InChIKey of 6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline?
The InChIKey is ULLWJEVSFQHXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-17(2)19-13-12-18(3)16-24(19)30-15-14-29-23-11-7-4-8-20(23)25-26(29)28-22-10-6-5-9-21(22)27-25/h4-13,16-17H,14-15H2,1-3H3.
What are the key properties of 6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline?
6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline has a molecular weight of 395.51 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]indolo[3,2-b]quinoxaline is sourced from PubChem (CID 2130274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).