2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole

C25H19N5O3 — CID 18870507

IUPAC2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1cc2nc3c4ccccc4n(Cc4nnc(-c5ccccc5)o4)c3nc2cc1OC
InChIInChI=1S/C25H19N5O3/c1-31-20-12-17-18(13-21(20)32-2)27-24-23(26-17)16-10-6-7-11-19(16)30(24)14-22-28-29-25(33-22)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3
InChIKeyFIRMHDOXWVRUJJ-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.85
Rot. Bonds5

About 2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole

2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 18870507) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID18870507
Molecular FormulaC25H19N5O3
Molecular Weight437.46 g/mol
Exact Mass437.15
IUPAC Name2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1cc2nc3c4ccccc4n(Cc4nnc(-c5ccccc5)o4)c3nc2cc1OC
InChIInChI=1S/C25H19N5O3/c1-31-20-12-17-18(13-21(20)32-2)27-24-23(26-17)16-10-6-7-11-19(16)30(24)14-22-28-29-25(33-22)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3
InChIKeyFIRMHDOXWVRUJJ-UHFFFAOYSA-N
XLogP4.85
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole (CID 18870507) is 2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole is COc1cc2nc3c4ccccc4n(Cc4nnc(-c5ccccc5)o4)c3nc2cc1OC.
What is the InChIKey of 2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is FIRMHDOXWVRUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3/c1-31-20-12-17-18(13-21(20)32-2)27-24-23(26-17)16-10-6-7-11-19(16)30(24)14-22-28-29-25(33-22)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3.
What are the key properties of 2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 437.46 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 18870507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).