2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid

C24H24ClN3O3 — CID 123887033

About 2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid

2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid (PubChem CID 123887033) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid
• PubChem CID: 123887033
• Molecular Formula: C24H24ClN3O3
• Molecular Weight: 437.93 g/mol
• Exact Mass: 437.15
• IUPAC Name: 2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid
• SMILES: CC(C)CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccc(Cl)cc2o1
• InChI: InChI=1S/C24H24ClN3O3/c1-13(2)9-14(3)28(4)23-22(21-11-15-5-7-17(25)12-20(15)31-21)26-18-8-6-16(24(29)30)10-19(18)27-23/h5-8,10-14H,9H2,1-4H3,(H,29,30)
• InChIKey: QLJAOGJRMBPWGA-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 79.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.93
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid?

The IUPAC name of 2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid (CID 123887033) is 2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid.

What is the SMILES notation for 2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid?

The canonical SMILES for 2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid is CC(C)CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccc(Cl)cc2o1.

What is the InChIKey of 2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid?

The InChIKey is QLJAOGJRMBPWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-13(2)9-14(3)28(4)23-22(21-11-15-5-7-17(25)12-20(15)31-21)26-18-8-6-16(24(29)30)10-19(18)27-23/h5-8,10-14H,9H2,1-4H3,(H,29,30).

What are the key properties of 2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid?

2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid has a molecular weight of 437.93 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-1-benzofuran-2-yl)-3-[methyl(4-methylpentan-2-yl)amino]quinoxaline-6-carboxylic acid is sourced from PubChem (CID 123887033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).