2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide

C25H21BrN4O — CID 2131314

IUPAC2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)c1ccccc1
InChIInChI=1S/C25H21BrN4O/c1-16(2)30(18-8-4-3-5-9-18)23(31)15-29-22-13-12-17(26)14-19(22)24-25(29)28-21-11-7-6-10-20(21)27-24/h3-14,16H,15H2,1-2H3
InChIKeyYSTZFJGWQYRYGS-UHFFFAOYSA-N
MW473.37 g/mol
LogP5.94
Rot. Bonds4

About 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide

2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide (PubChem CID 2131314) has the molecular formula C25H21BrN4O and a molecular weight of 473.37 g/mol. Its IUPAC name is 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide
PubChem CID2131314
Molecular FormulaC25H21BrN4O
Molecular Weight473.37 g/mol
Exact Mass472.09
IUPAC Name2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)c1ccccc1
InChIInChI=1S/C25H21BrN4O/c1-16(2)30(18-8-4-3-5-9-18)23(31)15-29-22-13-12-17(26)14-19(22)24-25(29)28-21-11-7-6-10-20(21)27-24/h3-14,16H,15H2,1-2H3
InChIKeyYSTZFJGWQYRYGS-UHFFFAOYSA-N
XLogP5.94
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.37
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide (CID 2131314) is 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)c1ccccc1.
What is the InChIKey of 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is YSTZFJGWQYRYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN4O/c1-16(2)30(18-8-4-3-5-9-18)23(31)15-29-22-13-12-17(26)14-19(22)24-25(29)28-21-11-7-6-10-20(21)27-24/h3-14,16H,15H2,1-2H3.
What are the key properties of 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide?
2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 473.37 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 2131314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).