N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione

C77H74ClF3N18O9 — CID 165006372

About N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione

N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione (PubChem CID 165006372) has the molecular formula C77H74ClF3N18O9 and a molecular weight of 1488.00 g/mol. Its IUPAC name is N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione
• PubChem CID: 165006372
• Molecular Formula: C77H74ClF3N18O9
• Molecular Weight: 1488.00 g/mol
• Exact Mass: 1486.55
• IUPAC Name: N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[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(CCNC(=O)C(C)(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(Cl)c(N(CCN)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
• InChI: InChI=1S/C31H28N6O4.C26H27F3N6O4.C20H19ClN6O/c1-4-35-19-20(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)27(7-6-22)14-2-5-17-18(8-14)26-19(12-23-17)13-10-24-25-11-13/h5-10,13-19H,4,11-12H2,1-3H3;5-6,9-15,37H,7-8H2,1-4H3,(H,30,36);2-5,8-12H,6-7,22H2,1H3,(H,24,25)
• InChIKey: JAGDGCBWYFUBLH-UHFFFAOYSA-N
• XLogP: 12.36
• TPSA: 310.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1488.00
LogP ≤ 5	12.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione?

The IUPAC name of N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione (CID 165006372) is N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione.

What is the SMILES notation for N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione?

The canonical SMILES for N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[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(CCNC(=O)C(C)(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(Cl)c(N(CCN)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.

What is the InChIKey of N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione?

The InChIKey is JAGDGCBWYFUBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O4.C26H27F3N6O4.C20H19ClN6O/c1-4-35-19-20(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)27(7-6-22)14-2-5-17-18(8-14)26-19(12-23-17)13-10-24-25-11-13/h5-10,13-19H,4,11-12H2,1-3H3;5-6,9-15,37H,7-8H2,1-4H3,(H,30,36);2-5,8-12H,6-7,22H2,1H3,(H,24,25).

What are the key properties of N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione?

N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione has a molecular weight of 1488.00 g/mol, XLogP of 12.36, 24 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2-chloro-5-methoxyphenyl)-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine;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-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 165006372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).