6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine

C27H26N8 — CID 167367124

About 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine

6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine (PubChem CID 167367124) has the molecular formula C27H26N8 and a molecular weight of 462.56 g/mol. Its IUPAC name is 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine.

Molecular Properties

• Compound Name: 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine
• PubChem CID: 167367124
• Molecular Formula: C27H26N8
• Molecular Weight: 462.56 g/mol
• Exact Mass: 462.23
• IUPAC Name: 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine
• SMILES: Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(Nc4ccc(N5CCNCC5)cn4)cc3c2)n1
• InChI: InChI=1S/C27H26N8/c1-18-3-2-4-24(33-18)27-26(31-17-32-27)19-5-7-23-20(13-19)14-21(15-29-23)34-25-8-6-22(16-30-25)35-11-9-28-10-12-35/h2-8,13-17,28H,9-12H2,1H3,(H,30,34)(H,31,32)
• InChIKey: UKPXAFJEENIEEB-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 94.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.56
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine?

The IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine (CID 167367124) is 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine.

What is the SMILES notation for 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine?

The canonical SMILES for 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine is Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(Nc4ccc(N5CCNCC5)cn4)cc3c2)n1.

What is the InChIKey of 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine?

The InChIKey is UKPXAFJEENIEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8/c1-18-3-2-4-24(33-18)27-26(31-17-32-27)19-5-7-23-20(13-19)14-21(15-29-23)34-25-8-6-22(16-30-25)35-11-9-28-10-12-35/h2-8,13-17,28H,9-12H2,1H3,(H,30,34)(H,31,32).

What are the key properties of 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine?

6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine has a molecular weight of 462.56 g/mol, XLogP of 4.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-N-(5-piperazin-1-yl-2-pyridinyl)quinolin-3-amine is sourced from PubChem (CID 167367124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).