2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione

C110H116ClF3N24O13 — CID 160542982

About 2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione

2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione (PubChem CID 160542982) has the molecular formula C110H116ClF3N24O13 and a molecular weight of 2074.74 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione
• PubChem CID: 160542982
• Molecular Formula: C110H116ClF3N24O13
• Molecular Weight: 2074.74 g/mol
• Exact Mass: 2072.88
• IUPAC Name: 2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione
• SMILES: CCn1cc(-c2cnc3ccc(N(CCN4C(=O)c5ccccc5C4=O)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CCCN2CCC(N3C[C@@H](C)O[C@@H](C)C3)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(=O)C(C)(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(Cl)c(N(CCO)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
• InChI: InChI=1S/C33H43N7O3.C31H28N6O4.C26H27F3N6O4.C20H18ClN5O2/c1-23-19-39(20-24(2)43-23)27-9-12-38(22-27)10-6-11-40(28-13-29(41-4)16-30(14-28)42-5)26-7-8-31-32(15-26)36-33(18-34-31)25-17-35-37(3)21-25;1-4-35-19-20(17-33-35)29-18-32-27-10-9-21(15-28(27)34-29)36(22-13-23(40-2)16-24(14-22)41-3)11-12-37-30(38)25-7-5-6-8-26(25)31(37)39;1-25(37,26(27,28)29)24(36)30-7-8-35(18-9-19(38-3)12-20(10-18)39-4)17-5-6-21-22(11-17)33-23(14-31-21)16-13-32-34(2)15-16;1-28-15-3-4-16(21)20(9-15)26(6-7-27)14-2-5-17-18(8-14)25-19(12-22-17)13-10-23-24-11-13/h7-8,13-18,21,23-24,27H,6,9-12,19-20,22H2,1-5H3;5-10,13-19H,4,11-12H2,1-3H3;5-6,9-15,37H,7-8H2,1-4H3,(H,30,36);2-5,8-12,27H,6-7H2,1H3,(H,23,24)/t23-,24+,27?
• InChIKey: QXAQHHDSQUCTKM-MACCBHFASA-N
• XLogP: 17.15
• TPSA: 385.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 34
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2074.74
LogP ≤ 5	17.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione?

The IUPAC name of 2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione (CID 160542982) is 2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione?

The canonical SMILES for 2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione is CCn1cc(-c2cnc3ccc(N(CCN4C(=O)c5ccccc5C4=O)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CCCN2CCC(N3C[C@@H](C)O[C@@H](C)C3)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCNC(=O)C(C)(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(Cl)c(N(CCO)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.

What is the InChIKey of 2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione?

The InChIKey is QXAQHHDSQUCTKM-MACCBHFASA-N. The full InChI is InChI=1S/C33H43N7O3.C31H28N6O4.C26H27F3N6O4.C20H18ClN5O2/c1-23-19-39(20-24(2)43-23)27-9-12-38(22-27)10-6-11-40(28-13-29(41-4)16-30(14-28)42-5)26-7-8-31-32(15-26)36-33(18-34-31)25-17-35-37(3)21-25;1-4-35-19-20(17-33-35)29-18-32-27-10-9-21(15-28(27)34-29)36(22-13-23(40-2)16-24(14-22)41-3)11-12-37-30(38)25-7-5-6-8-26(25)31(37)39;1-25(37,26(27,28)29)24(36)30-7-8-35(18-9-19(38-3)12-20(10-18)39-4)17-5-6-21-22(11-17)33-23(14-31-21)16-13-32-34(2)15-16;1-28-15-3-4-16(21)20(9-15)26(6-7-27)14-2-5-17-18(8-14)25-19(12-22-17)13-10-23-24-11-13/h7-8,13-18,21,23-24,27H,6,9-12,19-20,22H2,1-5H3;5-10,13-19H,4,11-12H2,1-3H3;5-6,9-15,37H,7-8H2,1-4H3,(H,30,36);2-5,8-12,27H,6-7H2,1H3,(H,23,24)/t23-,24+,27?;;;.

What are the key properties of 2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione?

2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione has a molecular weight of 2074.74 g/mol, XLogP of 17.15, 34 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-5-methoxy-N-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide;N-(3,5-dimethoxyphenyl)-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 160542982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).