6-benzyl-9-methoxyindolo[3,2-b]quinoxaline

C22H17N3O — CID 828074

IUPAC6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
SMILESCOc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1
InChIInChI=1S/C22H17N3O/c1-26-16-11-12-20-17(13-16)21-22(24-19-10-6-5-9-18(19)23-21)25(20)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3
InChIKeyXNKYREUUHSLSBW-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.79
Rot. Bonds3

About 6-benzyl-9-methoxyindolo[3,2-b]quinoxaline

6-benzyl-9-methoxyindolo[3,2-b]quinoxaline (PubChem CID 828074) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-benzyl-9-methoxyindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
PubChem CID828074
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
SMILESCOc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1
InChIInChI=1S/C22H17N3O/c1-26-16-11-12-20-17(13-16)21-22(24-19-10-6-5-9-18(19)23-21)25(20)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3
InChIKeyXNKYREUUHSLSBW-UHFFFAOYSA-N
XLogP4.79
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-9-methoxyindolo[3,2-b]quinoxaline?
The IUPAC name of 6-benzyl-9-methoxyindolo[3,2-b]quinoxaline (CID 828074) is 6-benzyl-9-methoxyindolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-benzyl-9-methoxyindolo[3,2-b]quinoxaline?
The canonical SMILES for 6-benzyl-9-methoxyindolo[3,2-b]quinoxaline is COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1.
What is the InChIKey of 6-benzyl-9-methoxyindolo[3,2-b]quinoxaline?
The InChIKey is XNKYREUUHSLSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-26-16-11-12-20-17(13-16)21-22(24-19-10-6-5-9-18(19)23-21)25(20)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3.
What are the key properties of 6-benzyl-9-methoxyindolo[3,2-b]quinoxaline?
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline has a molecular weight of 339.40 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-9-methoxyindolo[3,2-b]quinoxaline is sourced from PubChem (CID 828074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).