6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline

C24H21N3O2 — CID 4318329

IUPAC6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline
SMILESCCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H21N3O2/c1-3-29-17-10-8-16(9-11-17)15-27-22-13-12-18(28-2)14-19(22)23-24(27)26-21-7-5-4-6-20(21)25-23/h4-14H,3,15H2,1-2H3
InChIKeyUXEZGWBHGISAAU-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.19
Rot. Bonds5

About 6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline

6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline (PubChem CID 4318329) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline
PubChem CID4318329
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline
SMILESCCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc32)cc1
InChIInChI=1S/C24H21N3O2/c1-3-29-17-10-8-16(9-11-17)15-27-22-13-12-18(28-2)14-19(22)23-24(27)26-21-7-5-4-6-20(21)25-23/h4-14H,3,15H2,1-2H3
InChIKeyUXEZGWBHGISAAU-UHFFFAOYSA-N
XLogP5.19
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline?
The IUPAC name of 6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline (CID 4318329) is 6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline?
The canonical SMILES for 6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline is CCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc32)cc1.
What is the InChIKey of 6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline?
The InChIKey is UXEZGWBHGISAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-3-29-17-10-8-16(9-11-17)15-27-22-13-12-18(28-2)14-19(22)23-24(27)26-21-7-5-4-6-20(21)25-23/h4-14H,3,15H2,1-2H3.
What are the key properties of 6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline?
6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline has a molecular weight of 383.45 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline is sourced from PubChem (CID 4318329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).