N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

C111H120F4N24O8 — CID 159403985

About N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine

N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 159403985) has the molecular formula C111H120F4N24O8 and a molecular weight of 1994.33 g/mol. Its IUPAC name is N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

• Compound Name: N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
• PubChem CID: 159403985
• Molecular Formula: C111H120F4N24O8
• Molecular Weight: 1994.33 g/mol
• Exact Mass: 1992.97
• IUPAC Name: N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
• SMILES: CCN(CC)Cc1cc(OC)cc(N(CCCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(F)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN(C)Cc2ccccc2)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccncc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C34H38N6O3.C27H34N6O2.C26H24N6O2.C24H24F4N6O/c1-38(23-25-9-5-4-6-10-25)14-15-39(28-17-29(41-2)20-30(18-28)42-3)27-12-13-31-32(19-27)37-33(22-35-31)26-21-36-40(24-26)34-11-7-8-16-43-34;1-5-32(6-2)18-20-12-23(14-24(13-20)35-4)33(10-7-11-34)22-8-9-25-26(15-22)30-27(17-28-25)21-16-29-31(3)19-21;1-31-17-19(14-29-31)26-15-28-24-5-4-20(12-25(24)30-26)32(16-18-6-8-27-9-7-18)21-10-22(33-2)13-23(11-21)34-3;1-33-14-16(12-31-33)23-13-30-21-5-4-18(11-22(21)32-23)34(7-3-6-29-15-24(26,27)28)19-8-17(25)9-20(10-19)35-2/h4-6,9-10,12-13,17-22,24,34H,7-8,11,14-16,23H2,1-3H3;8-9,12-17,19,34H,5-7,10-11,18H2,1-4H3;4-15,17H,16H2,1-3H3;4-5,8-14,29H,3,6-7,15H2,1-2H3
• InChIKey: LNSFVGNGYXLKOA-UHFFFAOYSA-N
• XLogP: 20.52
• TPSA: 303.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1994.33
LogP ≤ 5	20.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The IUPAC name of N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 159403985) is N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine.

What is the SMILES notation for N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The canonical SMILES for N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCN(CC)Cc1cc(OC)cc(N(CCCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(F)cc(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN(C)Cc2ccccc2)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)c1.COc1cc(OC)cc(N(Cc2ccncc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

The InChIKey is LNSFVGNGYXLKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O3.C27H34N6O2.C26H24N6O2.C24H24F4N6O/c1-38(23-25-9-5-4-6-10-25)14-15-39(28-17-29(41-2)20-30(18-28)42-3)27-12-13-31-32(19-27)37-33(22-35-31)26-21-36-40(24-26)34-11-7-8-16-43-34;1-5-32(6-2)18-20-12-23(14-24(13-20)35-4)33(10-7-11-34)22-8-9-25-26(15-22)30-27(17-28-25)21-16-29-31(3)19-21;1-31-17-19(14-29-31)26-15-28-24-5-4-20(12-25(24)30-26)32(16-18-6-8-27-9-7-18)21-10-22(33-2)13-23(11-21)34-3;1-33-14-16(12-31-33)23-13-30-21-5-4-18(11-22(21)32-23)34(7-3-6-29-15-24(26,27)28)19-8-17(25)9-20(10-19)35-2/h4-6,9-10,12-13,17-22,24,34H,7-8,11,14-16,23H2,1-3H3;8-9,12-17,19,34H,5-7,10-11,18H2,1-4H3;4-15,17H,16H2,1-3H3;4-5,8-14,29H,3,6-7,15H2,1-2H3.

What are the key properties of N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine?

N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 1994.33 g/mol, XLogP of 20.52, 38 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N'-(3,5-dimethoxyphenyl)-N-methyl-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine;3-[3-(diethylaminomethyl)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)quinoxalin-6-amine;N'-(3-fluoro-5-methoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 159403985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).