2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

C110H116N24O13 — CID 162137569

About 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (PubChem CID 162137569) has the molecular formula C110H116N24O13 and a molecular weight of 1982.29 g/mol. Its IUPAC name is 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
• PubChem CID: 162137569
• Molecular Formula: C110H116N24O13
• Molecular Weight: 1982.29 g/mol
• Exact Mass: 1980.92
• IUPAC Name: 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
• SMILES: COc1cc(OC)cc(N(CC2CCN(c3ncccc3OC)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN(C)OC)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)C(C)CN2C(=O)c3ccccc3C2=O)c1.COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)C(C)CO)c1
• InChI: InChI=1S/C31H33N7O3.C31H28N6O4.C25H30N6O3.C23H25N5O3/c1-36-20-22(16-34-36)29-17-33-27-8-7-23(14-28(27)35-29)38(24-12-25(39-2)15-26(13-24)40-3)19-21-9-11-37(18-21)31-30(41-4)6-5-10-32-31;1-19(17-36-30(38)25-7-5-6-8-26(25)31(36)39)37(22-11-23(40-3)14-24(12-22)41-4)21-9-10-27-28(13-21)34-29(16-32-27)20-15-33-35(2)18-20;1-29-17-18(15-27-29)25-16-26-23-8-7-19(13-24(23)28-25)31(10-6-9-30(2)34-5)20-11-21(32-3)14-22(12-20)33-4;1-15(14-29)28(18-7-19(30-3)10-20(8-18)31-4)17-5-6-21-22(9-17)26-23(12-24-21)16-11-25-27(2)13-16/h5-8,10,12-17,20-21H,9,11,18-19H2,1-4H3;5-16,18-19H,17H2,1-4H3;7-8,11-17H,6,9-10H2,1-5H3;5-13,15,29H,14H2,1-4H3
• InChIKey: ZJMLFIVGNWACJR-UHFFFAOYSA-N
• XLogP: 17.62
• TPSA: 356.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 34
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1982.29
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?

The IUPAC name of 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (CID 162137569) is 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.

What is the SMILES notation for 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?

The canonical SMILES for 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is COc1cc(OC)cc(N(CC2CCN(c3ncccc3OC)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN(C)OC)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)C(C)CN2C(=O)c3ccccc3C2=O)c1.COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)C(C)CO)c1.

What is the InChIKey of 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?

The InChIKey is ZJMLFIVGNWACJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7O3.C31H28N6O4.C25H30N6O3.C23H25N5O3/c1-36-20-22(16-34-36)29-17-33-27-8-7-23(14-28(27)35-29)38(24-12-25(39-2)15-26(13-24)40-3)19-21-9-11-37(18-21)31-30(41-4)6-5-10-32-31;1-19(17-36-30(38)25-7-5-6-8-26(25)31(36)39)37(22-11-23(40-3)14-24(12-22)41-4)21-9-10-27-28(13-21)34-29(16-32-27)20-15-33-35(2)18-20;1-29-17-18(15-27-29)25-16-26-23-8-7-19(13-24(23)28-25)31(10-6-9-30(2)34-5)20-11-21(32-3)14-22(12-20)33-4;1-15(14-29)28(18-7-19(30-3)10-20(8-18)31-4)17-5-6-21-22(9-17)26-23(12-24-21)16-11-25-27(2)13-16/h5-8,10,12-17,20-21H,9,11,18-19H2,1-4H3;5-16,18-19H,17H2,1-4H3;7-8,11-17H,6,9-10H2,1-5H3;5-13,15,29H,14H2,1-4H3.

What are the key properties of 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?

2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 1982.29 g/mol, XLogP of 17.62, 34 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propan-1-ol;2-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]isoindole-1,3-dione;N'-(3,5-dimethoxyphenyl)-N-methoxy-N-methyl-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]propane-1,3-diamine;N-(3,5-dimethoxyphenyl)-N-[[1-(3-methoxy-2-pyridinyl)pyrrolidin-3-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 162137569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).