[2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine

C30H26F6N6 — CID 129131745

About [2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 129131745) has the molecular formula C30H26F6N6 and a molecular weight of 584.57 g/mol. Its IUPAC name is [2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

• Compound Name: [2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine
• PubChem CID: 129131745
• Molecular Formula: C30H26F6N6
• Molecular Weight: 584.57 g/mol
• Exact Mass: 584.21
• IUPAC Name: [2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine
• SMILES: CCc1nc2ccc(C(N)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(C)c1Cc1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C30H26F6N6/c1-4-23-21(11-18-5-9-25(39-13-18)29(31,32)33)17(2)22-12-19(6-8-24(22)41-23)28(37,27-15-38-16-42(27)3)20-7-10-26(40-14-20)30(34,35)36/h5-10,12-16H,4,11,37H2,1-3H3
• InChIKey: DIKIROWSVMBSQL-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 82.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.57
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine?

The IUPAC name of [2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 129131745) is [2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine.

What is the SMILES notation for [2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine?

The canonical SMILES for [2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine is CCc1nc2ccc(C(N)(c3ccc(C(F)(F)F)nc3)c3cncn3C)cc2c(C)c1Cc1ccc(C(F)(F)F)nc1.

What is the InChIKey of [2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine?

The InChIKey is DIKIROWSVMBSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F6N6/c1-4-23-21(11-18-5-9-25(39-13-18)29(31,32)33)17(2)22-12-19(6-8-24(22)41-23)28(37,27-15-38-16-42(27)3)20-7-10-26(40-14-20)30(34,35)36/h5-10,12-16H,4,11,37H2,1-3H3.

What are the key properties of [2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine?

[2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 584.57 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-ethyl-4-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 129131745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).