8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide

C24H24Cl2N6O3 — CID 89284752

About 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide

8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide (PubChem CID 89284752) has the molecular formula C24H24Cl2N6O3 and a molecular weight of 515.40 g/mol. Its IUPAC name is 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide.

Molecular Properties

• Compound Name: 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide
• PubChem CID: 89284752
• Molecular Formula: C24H24Cl2N6O3
• Molecular Weight: 515.40 g/mol
• Exact Mass: 514.13
• IUPAC Name: 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide
• SMILES: CCN(C)Cc1cnc(NC(=O)c2ccc(-c3c(Cl)c(OC)cc(OC)c3Cl)c3nccnc23)[nH]1
• InChI: InChI=1S/C24H24Cl2N6O3/c1-5-32(2)12-13-11-29-24(30-13)31-23(33)15-7-6-14(21-22(15)28-9-8-27-21)18-19(25)16(34-3)10-17(35-4)20(18)26/h6-11H,5,12H2,1-4H3,(H2,29,30,31,33)
• InChIKey: RKWIRRNVJJXBRT-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 105.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.40
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide?

The IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide (CID 89284752) is 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide.

What is the SMILES notation for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide?

The canonical SMILES for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide is CCN(C)Cc1cnc(NC(=O)c2ccc(-c3c(Cl)c(OC)cc(OC)c3Cl)c3nccnc23)[nH]1.

What is the InChIKey of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide?

The InChIKey is RKWIRRNVJJXBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N6O3/c1-5-32(2)12-13-11-29-24(30-13)31-23(33)15-7-6-14(21-22(15)28-9-8-27-21)18-19(25)16(34-3)10-17(35-4)20(18)26/h6-11H,5,12H2,1-4H3,(H2,29,30,31,33).

What are the key properties of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide?

8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide has a molecular weight of 515.40 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[[ethyl(methyl)amino]methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 89284752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).