6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile

C27H26N6O3 — CID 139557076

About 6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile

6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile (PubChem CID 139557076) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is 6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile.

Molecular Properties

• Compound Name: 6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile
• PubChem CID: 139557076
• Molecular Formula: C27H26N6O3
• Molecular Weight: 482.54 g/mol
• Exact Mass: 482.21
• IUPAC Name: 6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile
• SMILES: COc1ccc(COc2ccc(Nc3ccc4ncc(N5CCCC5)nc4c3C#N)cc2OC)cn1
• InChI: InChI=1S/C27H26N6O3/c1-34-24-13-19(6-9-23(24)36-17-18-5-10-26(35-2)30-15-18)31-21-7-8-22-27(20(21)14-28)32-25(16-29-22)33-11-3-4-12-33/h5-10,13,15-16,31H,3-4,11-12,17H2,1-2H3
• InChIKey: WJKBQKOJKMYEGY-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 105.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.54
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile (CID 139557076) is 6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile.

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

The canonical SMILES for 6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile is COc1ccc(COc2ccc(Nc3ccc4ncc(N5CCCC5)nc4c3C#N)cc2OC)cn1.

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

The InChIKey is WJKBQKOJKMYEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-34-24-13-19(6-9-23(24)36-17-18-5-10-26(35-2)30-15-18)31-21-7-8-22-27(20(21)14-28)32-25(16-29-22)33-11-3-4-12-33/h5-10,13,15-16,31H,3-4,11-12,17H2,1-2H3.

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

6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile has a molecular weight of 482.54 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile is sourced from PubChem (CID 139557076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).