2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

C107H120ClF3N26O13 — CID 158178541

About 2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 158178541) has the molecular formula C107H120ClF3N26O13 and a molecular weight of 2070.75 g/mol. Its IUPAC name is 2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

• Compound Name: 2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
• PubChem CID: 158178541
• Molecular Formula: C107H120ClF3N26O13
• Molecular Weight: 2070.75 g/mol
• Exact Mass: 2068.92
• IUPAC Name: 2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
• SMILES: CCn1cc(-c2cnc3ccc(N(CCCNCC(F)(F)F)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CC(O)CN(C(=O)CCl)C(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC(O)Cn2ncnc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CN(C(C)C)C(=O)O2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C28H33ClN6O4.C27H30N6O4.C26H29F3N6O2.C26H28N8O3/c1-18(2)34(28(37)12-29)16-22(36)17-35(21-8-23(38-4)11-24(9-21)39-5)20-6-7-25-26(10-20)32-27(14-30-25)19-13-31-33(3)15-19;1-17(2)32-15-23(37-27(32)34)16-33(20-8-21(35-4)11-22(9-20)36-5)19-6-7-24-25(10-19)30-26(13-28-24)18-12-29-31(3)14-18;1-4-34-16-18(14-32-34)25-15-31-23-7-6-19(12-24(23)33-25)35(9-5-8-30-17-26(27,28)29)20-10-21(36-2)13-22(11-20)37-3;1-17-28-16-30-34(17)15-21(35)14-33(20-7-22(36-3)10-23(8-20)37-4)19-5-6-24-25(9-19)31-26(12-27-24)18-11-29-32(2)13-18/h6-11,13-15,18,22,36H,12,16-17H2,1-5H3;6-14,17,23H,15-16H2,1-5H3;6-7,10-16,30H,4-5,8-9,17H2,1-3H3;5-13,16,21,35H,14-15H2,1-4H3
• InChIKey: FYHGSUWTRFETDX-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 394.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 37
• Rotatable Bonds: 39
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.75
LogP ≤ 5	16.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The IUPAC name of 2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 158178541) is 2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

What is the SMILES notation for 2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The canonical SMILES for 2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCn1cc(-c2cnc3ccc(N(CCCNCC(F)(F)F)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CC(O)CN(C(=O)CCl)C(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC(O)Cn2ncnc2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CN(C(C)C)C(=O)O2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of 2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The InChIKey is FYHGSUWTRFETDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN6O4.C27H30N6O4.C26H29F3N6O2.C26H28N8O3/c1-18(2)34(28(37)12-29)16-22(36)17-35(21-8-23(38-4)11-24(9-21)39-5)20-6-7-25-26(10-20)32-27(14-30-25)19-13-31-33(3)15-19;1-17(2)32-15-23(37-27(32)34)16-33(20-8-21(35-4)11-22(9-20)36-5)19-6-7-24-25(10-19)30-26(13-28-24)18-12-29-31(3)14-18;1-4-34-16-18(14-32-34)25-15-31-23-7-6-19(12-24(23)33-25)35(9-5-8-30-17-26(27,28)29)20-10-21(36-2)13-22(11-20)37-3;1-17-28-16-30-34(17)15-21(35)14-33(20-7-22(36-3)10-23(8-20)37-4)19-5-6-24-25(9-19)31-26(12-27-24)18-11-29-32(2)13-18/h6-11,13-15,18,22,36H,12,16-17H2,1-5H3;6-14,17,23H,15-16H2,1-5H3;6-7,10-16,30H,4-5,8-9,17H2,1-3H3;5-13,16,21,35H,14-15H2,1-4H3.

What are the key properties of 2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 2070.75 g/mol, XLogP of 16.79, 39 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-2-hydroxypropyl]-N-propan-2-ylacetamide;5-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]-3-propan-2-yl-1,3-oxazolidin-2-one;1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-(5-methyl-1,2,4-triazol-1-yl)propan-2-ol;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 158178541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).