2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione

C110H108FN23O14 — CID 157434181

About 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione

2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione (PubChem CID 157434181) has the molecular formula C110H108FN23O14 and a molecular weight of 1998.24 g/mol. Its IUPAC name is 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione
• PubChem CID: 157434181
• Molecular Formula: C110H108FN23O14
• Molecular Weight: 1998.24 g/mol
• Exact Mass: 1996.86
• IUPAC Name: 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione
• SMILES: CCOc1cc(F)cc(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC(O)CN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2(OC)CCNCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.[2H]C([2H])([2H])n1cc(-c2cnc3ccc(N(CCO)c4cc(OC)cc(OC)c4)cc3n2)cn1
• InChI: InChI=1S/C31H28N6O5.C30H25FN6O3.C27H32N6O3.C22H23N5O3/c1-35-16-19(14-33-35)29-15-32-27-9-8-20(12-28(27)34-29)36(21-10-23(41-2)13-24(11-21)42-3)17-22(38)18-37-30(39)25-6-4-5-7-26(25)31(37)40;1-3-40-23-13-20(31)12-22(14-23)36(10-11-37-29(38)24-6-4-5-7-25(24)30(37)39)21-8-9-26-27(15-21)34-28(17-32-26)19-16-33-35(2)18-19;1-32-17-19(15-30-32)26-16-29-24-6-5-20(13-25(24)31-26)33(18-27(36-4)7-9-28-10-8-27)21-11-22(34-2)14-23(12-21)35-3;1-26-14-15(12-24-26)22-13-23-20-5-4-16(10-21(20)25-22)27(6-7-28)17-8-18(29-2)11-19(9-17)30-3/h4-16,22,38H,17-18H2,1-3H3;4-9,12-18H,3,10-11H2,1-2H3;5-6,11-17,28H,7-10,18H2,1-4H3;4-5,8-14,28H,6-7H2,1-3H3/i;;;1D3
• InChIKey: BQWXLAHKIYANNW-VYWVDSBRSA-N
• XLogP: 15.98
• TPSA: 388.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 33
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1998.24
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione?

The IUPAC name of 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione (CID 157434181) is 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione?

The canonical SMILES for 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione is CCOc1cc(F)cc(N(CCN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC(O)CN2C(=O)c3ccccc3C2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2(OC)CCNCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.[2H]C([2H])([2H])n1cc(-c2cnc3ccc(N(CCO)c4cc(OC)cc(OC)c4)cc3n2)cn1.

What is the InChIKey of 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione?

The InChIKey is BQWXLAHKIYANNW-VYWVDSBRSA-N. The full InChI is InChI=1S/C31H28N6O5.C30H25FN6O3.C27H32N6O3.C22H23N5O3/c1-35-16-19(14-33-35)29-15-32-27-9-8-20(12-28(27)34-29)36(21-10-23(41-2)13-24(11-21)42-3)17-22(38)18-37-30(39)25-6-4-5-7-26(25)31(37)40;1-3-40-23-13-20(31)12-22(14-23)36(10-11-37-29(38)24-6-4-5-7-25(24)30(37)39)21-8-9-26-27(15-21)34-28(17-32-26)19-16-33-35(2)18-19;1-32-17-19(15-30-32)26-16-29-24-6-5-20(13-25(24)31-26)33(18-27(36-4)7-9-28-10-8-27)21-11-22(34-2)14-23(12-21)35-3;1-26-14-15(12-24-26)22-13-23-20-5-4-16(10-21(20)25-22)27(6-7-28)17-8-18(29-2)11-19(9-17)30-3/h4-16,22,38H,17-18H2,1-3H3;4-9,12-18H,3,10-11H2,1-2H3;5-6,11-17,28H,7-10,18H2,1-4H3;4-5,8-14,28H,6-7H2,1-3H3/i;;;1D3.

What are the key properties of 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione?

2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione has a molecular weight of 1998.24 g/mol, XLogP of 15.98, 33 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]isoindole-1,3-dione;N-(3,5-dimethoxyphenyl)-N-[(4-methoxypiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol;2-[2-(3-ethoxy-5-fluoro-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 157434181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).