[8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate

C28H28F2N6O5 — CID 118321994

About [8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate

[8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate (PubChem CID 118321994) has the molecular formula C28H28F2N6O5 and a molecular weight of 566.57 g/mol. Its IUPAC name is [8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: [8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate
• PubChem CID: 118321994
• Molecular Formula: C28H28F2N6O5
• Molecular Weight: 566.57 g/mol
• Exact Mass: 566.21
• IUPAC Name: [8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate
• SMILES: COc1cc(OC)c(F)c(-c2ccc(OC(=O)Nc3ccc(CN(C)CC(=O)N(C)C)cn3)c3nccnc23)c1F
• InChI: InChI=1S/C28H28F2N6O5/c1-35(2)22(37)15-36(3)14-16-6-9-21(33-13-16)34-28(38)41-18-8-7-17(26-27(18)32-11-10-31-26)23-24(29)19(39-4)12-20(40-5)25(23)30/h6-13H,14-15H2,1-5H3,(H,33,34,38)
• InChIKey: ZXKQUSGAHUNCJV-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 119.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.57
LogP ≤ 5	4.12
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)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate?

The IUPAC name of [8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate (CID 118321994) is [8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate.

What is the SMILES notation for [8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate?

The canonical SMILES for [8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate is COc1cc(OC)c(F)c(-c2ccc(OC(=O)Nc3ccc(CN(C)CC(=O)N(C)C)cn3)c3nccnc23)c1F.

What is the InChIKey of [8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate?

The InChIKey is ZXKQUSGAHUNCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N6O5/c1-35(2)22(37)15-36(3)14-16-6-9-21(33-13-16)34-28(38)41-18-8-7-17(26-27(18)32-11-10-31-26)23-24(29)19(39-4)12-20(40-5)25(23)30/h6-13H,14-15H2,1-5H3,(H,33,34,38).

What are the key properties of [8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate?

[8-(2,6-difluoro-3,5-dimethoxyphenyl)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate has a molecular weight of 566.57 g/mol, XLogP of 4.12, 9 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)quinoxalin-5-yl] N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 118321994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).