3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile

C26H21N7O3 — CID 134441984

About 3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile

3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile (PubChem CID 134441984) has the molecular formula C26H21N7O3 and a molecular weight of 479.50 g/mol. Its IUPAC name is 3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile.

Molecular Properties

• Compound Name: 3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile
• PubChem CID: 134441984
• Molecular Formula: C26H21N7O3
• Molecular Weight: 479.50 g/mol
• Exact Mass: 479.17
• IUPAC Name: 3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile
• SMILES: COc1ccc(COc2ccc(Nc3ccc4ncc(-n5ccnc5)nc4c3C#N)cc2OC)cn1
• InChI: InChI=1S/C26H21N7O3/c1-34-23-11-18(4-7-22(23)36-15-17-3-8-25(35-2)30-13-17)31-20-5-6-21-26(19(20)12-27)32-24(14-29-21)33-10-9-28-16-33/h3-11,13-14,16,31H,15H2,1-2H3
• InChIKey: GHSFCKHERNSVSQ-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 120.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.50
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile?

The IUPAC name of 3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile (CID 134441984) is 3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile.

What is the SMILES notation for 3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile?

The canonical SMILES for 3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile is COc1ccc(COc2ccc(Nc3ccc4ncc(-n5ccnc5)nc4c3C#N)cc2OC)cn1.

What is the InChIKey of 3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile?

The InChIKey is GHSFCKHERNSVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O3/c1-34-23-11-18(4-7-22(23)36-15-17-3-8-25(35-2)30-13-17)31-20-5-6-21-26(19(20)12-27)32-24(14-29-21)33-10-9-28-16-33/h3-11,13-14,16,31H,15H2,1-2H3.

What are the key properties of 3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile?

3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile has a molecular weight of 479.50 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile is sourced from PubChem (CID 134441984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).