2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline

C25H18N4O — CID 57394323

IUPAC2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline
SMILESCOc1ccc2c(-c3nc4ccccc4nc3-c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C25H18N4O/c1-30-15-10-11-17-19(14-27-23(17)12-15)25-24(28-21-8-4-5-9-22(21)29-25)18-13-26-20-7-3-2-6-16(18)20/h2-14,26-27H,1H3
InChIKeyNDXFNOUSVCECJV-UHFFFAOYSA-N
MW390.45 g/mol
LogP5.93
Rot. Bonds3

About 2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline

2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline (PubChem CID 57394323) has the molecular formula C25H18N4O and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline
PubChem CID57394323
Molecular FormulaC25H18N4O
Molecular Weight390.45 g/mol
Exact Mass390.15
IUPAC Name2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline
SMILESCOc1ccc2c(-c3nc4ccccc4nc3-c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C25H18N4O/c1-30-15-10-11-17-19(14-27-23(17)12-15)25-24(28-21-8-4-5-9-22(21)29-25)18-13-26-20-7-3-2-6-16(18)20/h2-14,26-27H,1H3
InChIKeyNDXFNOUSVCECJV-UHFFFAOYSA-N
XLogP5.93
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline?
The IUPAC name of 2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline (CID 57394323) is 2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline.
What is the SMILES notation for 2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline?
The canonical SMILES for 2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline is COc1ccc2c(-c3nc4ccccc4nc3-c3c[nH]c4ccccc34)c[nH]c2c1.
What is the InChIKey of 2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline?
The InChIKey is NDXFNOUSVCECJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O/c1-30-15-10-11-17-19(14-27-23(17)12-15)25-24(28-21-8-4-5-9-22(21)29-25)18-13-26-20-7-3-2-6-16(18)20/h2-14,26-27H,1H3.
What are the key properties of 2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline?
2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline has a molecular weight of 390.45 g/mol, XLogP of 5.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-3-(6-methoxy-1H-indol-3-yl)quinoxaline is sourced from PubChem (CID 57394323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).