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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]isoindole-1,3-dione

C78H74ClF3N16O10 — CID 159803485

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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]isoindole-1,3-dione (PubChem CID 159803485) has the molecular formula C78H74ClF3N16O10 and a molecular weight of 1488.00 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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]isoindole-1,3-dione
• PubChem CID: 159803485
• Molecular Formula: C78H74ClF3N16O10
• Molecular Weight: 1488.00 g/mol
• Exact Mass: 1486.54
• 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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]isoindole-1,3-dione
• SMILES: CCn1cc(-c2cnc3ccc(CCCN4C(=O)c5ccccc5C4=O)c(-c4cc(OC)cc(OC)c4)c3n2)cn1.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/C32H29N5O4.C26H27F3N6O4.C20H18ClN5O2/c1-4-36-19-22(17-34-36)28-18-33-27-12-11-20(8-7-13-37-31(38)25-9-5-6-10-26(25)32(37)39)29(30(27)35-28)21-14-23(40-2)16-24(15-21)41-3;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/h5-6,9-12,14-19H,4,7-8,13H2,1-3H3;5-6,9-15,37H,7-8H2,1-4H3,(H,30,36);2-5,8-12,27H,6-7H2,1H3,(H,23,24)
• InChIKey: NKBYESJTRNOMSH-UHFFFAOYSA-N
• XLogP: 12.85
• TPSA: 301.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1488.00
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]isoindole-1,3-dione (CID 159803485) 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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]isoindole-1,3-dione is CCn1cc(-c2cnc3ccc(CCCN4C(=O)c5ccccc5C4=O)c(-c4cc(OC)cc(OC)c4)c3n2)cn1.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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]isoindole-1,3-dione?

The InChIKey is NKBYESJTRNOMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O4.C26H27F3N6O4.C20H18ClN5O2/c1-4-36-19-22(17-34-36)28-18-33-27-12-11-20(8-7-13-37-31(38)25-9-5-6-10-26(25)32(37)39)29(30(27)35-28)21-14-23(40-2)16-24(15-21)41-3;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/h5-6,9-12,14-19H,4,7-8,13H2,1-3H3;5-6,9-15,37H,7-8H2,1-4H3,(H,30,36);2-5,8-12,27H,6-7H2,1H3,(H,23,24).

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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]isoindole-1,3-dione has a molecular weight of 1488.00 g/mol, XLogP of 12.85, 24 rotatable bonds, 4 hydrogen bond donors, and 23 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;2-[3-[5-(3,5-dimethoxyphenyl)-3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 159803485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).