2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine

C110H122F3N25O10 — CID 157399360

About 2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine

2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine (PubChem CID 157399360) has the molecular formula C110H122F3N25O10 and a molecular weight of 2011.34 g/mol. Its IUPAC name is 2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: 2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine
• PubChem CID: 157399360
• Molecular Formula: C110H122F3N25O10
• Molecular Weight: 2011.34 g/mol
• Exact Mass: 2009.98
• IUPAC Name: 2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine
• SMILES: COc1cc(OC)cc(N(CC#Cc2nccn2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNC(=O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC(C(C)(C)O)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C30H38N6O3.C28H34N6O2.C27H25N7O2.C25H25F3N6O3/c1-30(2,37)22-8-10-35(11-9-22)12-13-36(24-14-25(38-4)17-26(15-24)39-5)23-6-7-27-28(16-23)33-29(19-31-27)21-18-32-34(3)20-21;1-32-20-21(18-30-32)28-19-29-26-9-8-22(16-27(26)31-28)34(13-7-12-33-10-5-4-6-11-33)23-14-24(35-2)17-25(15-23)36-3;1-32-11-9-28-27(32)6-5-10-34(21-12-22(35-3)15-23(13-21)36-4)20-7-8-24-25(14-20)31-26(17-29-24)19-16-30-33(2)18-19;1-33-15-16(13-31-33)23-14-30-21-6-5-17(11-22(21)32-23)34(8-4-7-29-24(35)25(26,27)28)18-9-19(36-2)12-20(10-18)37-3/h6-7,14-20,22,37H,8-13H2,1-5H3;8-9,14-20H,4-7,10-13H2,1-3H3;7-9,11-18H,10H2,1-4H3;5-6,9-15H,4,7-8H2,1-3H3,(H,29,35)
• InChIKey: BMYNVKJJUWEUFU-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 334.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 33
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2011.34
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine?

The IUPAC name of 2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine (CID 157399360) is 2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine.

What is the SMILES notation for 2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine?

The canonical SMILES for 2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine is COc1cc(OC)cc(N(CC#Cc2nccn2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNC(=O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC(C(C)(C)O)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of 2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine?

The InChIKey is BMYNVKJJUWEUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O3.C28H34N6O2.C27H25N7O2.C25H25F3N6O3/c1-30(2,37)22-8-10-35(11-9-22)12-13-36(24-14-25(38-4)17-26(15-24)39-5)23-6-7-27-28(16-23)33-29(19-31-27)21-18-32-34(3)20-21;1-32-20-21(18-30-32)28-19-29-26-9-8-22(16-27(26)31-28)34(13-7-12-33-10-5-4-6-11-33)23-14-24(35-2)17-25(15-23)36-3;1-32-11-9-28-27(32)6-5-10-34(21-12-22(35-3)15-23(13-21)36-4)20-7-8-24-25(14-20)31-26(17-29-24)19-16-30-33(2)18-19;1-33-15-16(13-31-33)23-14-30-21-6-5-17(11-22(21)32-23)34(8-4-7-29-24(35)25(26,27)28)18-9-19(36-2)12-20(10-18)37-3/h6-7,14-20,22,37H,8-13H2,1-5H3;8-9,14-20H,4-7,10-13H2,1-3H3;7-9,11-18H,10H2,1-4H3;5-6,9-15H,4,7-8H2,1-3H3,(H,29,35).

What are the key properties of 2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine?

2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine has a molecular weight of 2011.34 g/mol, XLogP of 17.96, 33 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]propan-2-ol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]-2,2,2-trifluoroacetamide;N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-piperidin-1-ylpropyl)quinoxalin-6-amine is sourced from PubChem (CID 157399360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).