2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide

C24H25N5O — CID 55857928

About 2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide (PubChem CID 55857928) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide.

Molecular Properties

• Compound Name: 2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide
• PubChem CID: 55857928
• Molecular Formula: C24H25N5O
• Molecular Weight: 399.50 g/mol
• Exact Mass: 399.21
• IUPAC Name: 2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide
• SMILES: Cc1nc2ccc(C(=O)Nc3cccc(Cn4ccnc4C(C)C)c3)cc2nc1C
• InChI: InChI=1S/C24H25N5O/c1-15(2)23-25-10-11-29(23)14-18-6-5-7-20(12-18)28-24(30)19-8-9-21-22(13-19)27-17(4)16(3)26-21/h5-13,15H,14H2,1-4H3,(H,28,30)
• InChIKey: XKQJSYHRAAUEEC-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.50
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide?

The IUPAC name of 2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide (CID 55857928) is 2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide.

What is the SMILES notation for 2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide?

The canonical SMILES for 2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)Nc3cccc(Cn4ccnc4C(C)C)c3)cc2nc1C.

What is the InChIKey of 2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide?

The InChIKey is XKQJSYHRAAUEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-15(2)23-25-10-11-29(23)14-18-6-5-7-20(12-18)28-24(30)19-8-9-21-22(13-19)27-17(4)16(3)26-21/h5-13,15H,14H2,1-4H3,(H,28,30).

What are the key properties of 2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide?

2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 55857928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).