8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide

C37H38F2N6O4 — CID 59292829

About 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide

8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide (PubChem CID 59292829) has the molecular formula C37H38F2N6O4 and a molecular weight of 668.75 g/mol. Its IUPAC name is 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide.

Molecular Properties

• Compound Name: 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide
• PubChem CID: 59292829
• Molecular Formula: C37H38F2N6O4
• Molecular Weight: 668.75 g/mol
• Exact Mass: 668.29
• IUPAC Name: 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide
• SMILES: COc1ccc(CN2CCN(Cc3ccc(NC(=O)c4ccc(-c5c(F)c(OC)cc(OC)c5F)c5nccnc45)nc3)CC2(C)C)cc1
• InChI: InChI=1S/C37H38F2N6O4/c1-37(2)22-44(16-17-45(37)21-23-6-9-25(47-3)10-7-23)20-24-8-13-30(42-19-24)43-36(46)27-12-11-26(34-35(27)41-15-14-40-34)31-32(38)28(48-4)18-29(49-5)33(31)39/h6-15,18-19H,16-17,20-22H2,1-5H3,(H,42,43,46)
• InChIKey: WVXXYMQQKMMTKD-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 101.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.75
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide?

The IUPAC name of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide (CID 59292829) is 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide.

What is the SMILES notation for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide?

The canonical SMILES for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide is COc1ccc(CN2CCN(Cc3ccc(NC(=O)c4ccc(-c5c(F)c(OC)cc(OC)c5F)c5nccnc45)nc3)CC2(C)C)cc1.

What is the InChIKey of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide?

The InChIKey is WVXXYMQQKMMTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38F2N6O4/c1-37(2)22-44(16-17-45(37)21-23-6-9-25(47-3)10-7-23)20-24-8-13-30(42-19-24)43-36(46)27-12-11-26(34-35(27)41-15-14-40-34)31-32(38)28(48-4)18-29(49-5)33(31)39/h6-15,18-19H,16-17,20-22H2,1-5H3,(H,42,43,46).

What are the key properties of 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide?

8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide has a molecular weight of 668.75 g/mol, XLogP of 6.34, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 59292829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).