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

C25H24Cl2N6O3 — CID 59292965

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

8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]quinoxaline-5-carboxamide (PubChem CID 59292965) has the molecular formula C25H24Cl2N6O3 and a molecular weight of 527.41 g/mol. Its IUPAC name is 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]quinoxaline-5-carboxamide.

Molecular Properties

• Compound Name: 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]quinoxaline-5-carboxamide
• PubChem CID: 59292965
• Molecular Formula: C25H24Cl2N6O3
• Molecular Weight: 527.41 g/mol
• Exact Mass: 526.13
• IUPAC Name: 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]quinoxaline-5-carboxamide
• SMILES: COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ncc(CN4CCCC4)[nH]3)c3nccnc23)c1Cl
• InChI: InChI=1S/C25H24Cl2N6O3/c1-35-17-11-18(36-2)21(27)19(20(17)26)15-5-6-16(23-22(15)28-7-8-29-23)24(34)32-25-30-12-14(31-25)13-33-9-3-4-10-33/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H2,30,31,32,34)
• InChIKey: PFWCOHFGGWMZTQ-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 105.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.41
LogP ≤ 5	5.19
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-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]quinoxaline-5-carboxamide?

The IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]quinoxaline-5-carboxamide (CID 59292965) is 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]quinoxaline-5-carboxamide.

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

The canonical SMILES for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]quinoxaline-5-carboxamide is COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ncc(CN4CCCC4)[nH]3)c3nccnc23)c1Cl.

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

The InChIKey is PFWCOHFGGWMZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6O3/c1-35-17-11-18(36-2)21(27)19(20(17)26)15-5-6-16(23-22(15)28-7-8-29-23)24(34)32-25-30-12-14(31-25)13-33-9-3-4-10-33/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H2,30,31,32,34).

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

8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]quinoxaline-5-carboxamide has a molecular weight of 527.41 g/mol, XLogP of 5.19, 7 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-(pyrrolidin-1-ylmethyl)-1H-imidazol-2-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 59292965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).