8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide

C50H47F3N10O2 — CID 161101317

About 8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide

8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide (PubChem CID 161101317) has the molecular formula C50H47F3N10O2 and a molecular weight of 876.99 g/mol. Its IUPAC name is 8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide.

Molecular Properties

• Compound Name: 8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide
• PubChem CID: 161101317
• Molecular Formula: C50H47F3N10O2
• Molecular Weight: 876.99 g/mol
• Exact Mass: 876.38
• IUPAC Name: 8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide
• SMILES: COCCn1ccc2ccc(-c3cc(NC(C)c4cccnc4)cc4nccnc34)cc21.Cn1ccc2ccc(-c3cc(N(C(=O)C(F)(F)F)C4CCNCC4)cc4nccnc34)cc21
• InChI: InChI=1S/C26H25N5O.C24H22F3N5O/c1-18(21-4-3-8-27-17-21)30-22-15-23(26-24(16-22)28-9-10-29-26)20-6-5-19-7-11-31(12-13-32-2)25(19)14-20;1-31-11-6-15-2-3-16(12-21(15)31)19-13-18(14-20-22(19)30-10-9-29-20)32(23(33)24(25,26)27)17-4-7-28-8-5-17/h3-11,14-18,30H,12-13H2,1-2H3;2-3,6,9-14,17,28H,4-5,7-8H2,1H3
• InChIKey: UILOFSDEZGMRCC-UHFFFAOYSA-N
• XLogP: 9.90
• TPSA: 127.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	876.99
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide?

The IUPAC name of 8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide (CID 161101317) is 8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide.

What is the SMILES notation for 8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide?

The canonical SMILES for 8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide is COCCn1ccc2ccc(-c3cc(NC(C)c4cccnc4)cc4nccnc34)cc21.Cn1ccc2ccc(-c3cc(N(C(=O)C(F)(F)F)C4CCNCC4)cc4nccnc34)cc21.

What is the InChIKey of 8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide?

The InChIKey is UILOFSDEZGMRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O.C24H22F3N5O/c1-18(21-4-3-8-27-17-21)30-22-15-23(26-24(16-22)28-9-10-29-26)20-6-5-19-7-11-31(12-13-32-2)25(19)14-20;1-31-11-6-15-2-3-16(12-21(15)31)19-13-18(14-20-22(19)30-10-9-29-20)32(23(33)24(25,26)27)17-4-7-28-8-5-17/h3-11,14-18,30H,12-13H2,1-2H3;2-3,6,9-14,17,28H,4-5,7-8H2,1H3.

What are the key properties of 8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide?

8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide has a molecular weight of 876.99 g/mol, XLogP of 9.90, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-(2-methoxyethyl)indol-6-yl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;2,2,2-trifluoro-N-[8-(1-methylindol-6-yl)quinoxalin-6-yl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 161101317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).