4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid

C33H33F3N8O7 — CID 117064504

About 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid

4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 117064504) has the molecular formula C33H33F3N8O7 and a molecular weight of 710.67 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 117064504
• Molecular Formula: C33H33F3N8O7
• Molecular Weight: 710.67 g/mol
• Exact Mass: 710.24
• IUPAC Name: 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid
• SMILES: NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C31H32N8O5.C2HF3O2/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29;3-2(4,5)1(6)7/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41);(H,6,7)
• InChIKey: SLFYRKZWSPFGQZ-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 239.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	710.67
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid (CID 117064504) is 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid is NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1.O=C(O)C(F)(F)F.

What is the InChIKey of 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is SLFYRKZWSPFGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N8O5.C2HF3O2/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29;3-2(4,5)1(6)7/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41);(H,6,7).

What are the key properties of 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid?

4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 710.67 g/mol, XLogP of 3.33, 13 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-aminoethoxy)-2-N,6-N-bis[4-(2-aminoethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117064504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).