N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane

C₈₄H₁₀₆N₁₈O₆S — CID 159219257

About N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane

N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane (PubChem CID 159219257) has the molecular formula C₈₄H₁₀₆N₁₈O₆S and a molecular weight of 1495.96 g/mol. Its IUPAC name is N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane.

Molecular Properties

• Compound Name: N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane
• PubChem CID: 159219257
• Molecular Formula: C₈₄H₁₀₆N₁₈O₆S
• Molecular Weight: 1495.96 g/mol
• Exact Mass: 1494.83
• IUPAC Name: N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane
• SMILES: CCn1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CCC2CCN(C(C)C)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.S
• InChI: InChI=1S/C30H38N6O2.C28H34N6O2.C26H32N6O2.H2S/c1-21(2)35-11-8-22(9-12-35)10-13-36(25-14-26(37-4)17-27(15-25)38-5)24-6-7-28-29(16-24)33-30(19-31-28)23-18-32-34(3)20-23;1-20-7-5-10-33(20)11-6-12-34(23-13-24(35-3)16-25(14-23)36-4)22-8-9-26-27(15-22)31-28(18-29-26)21-17-30-32(2)19-21;1-6-31-17-19(15-29-31)26-16-28-24-8-7-20(13-25(24)30-26)32(10-9-27-18(2)3)21-11-22(33-4)14-23(12-21)34-5;/h6-7,14-22H,8-13H2,1-5H3;8-9,13-20H,5-7,10-12H2,1-4H3;7-8,11-18,27H,6,9-10H2,1-5H3;1H2/t;20-;;/m.0../s1
• InChIKey: KRLZBFQGWWGGGO-AGIXTPCCSA-N
• XLogP: 15.54
• TPSA: 214.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1495.96
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane?

The IUPAC name of N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane (CID 159219257) is N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane.

What is the SMILES notation for N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane?

The canonical SMILES for N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane is CCn1cc(-c2cnc3ccc(N(CCNC(C)C)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CCC2CCN(C(C)C)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCN2CCC[C@@H]2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.S.

What is the InChIKey of N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane?

The InChIKey is KRLZBFQGWWGGGO-AGIXTPCCSA-N. The full InChI is InChI=1S/C30H38N6O2.C28H34N6O2.C26H32N6O2.H2S/c1-21(2)35-11-8-22(9-12-35)10-13-36(25-14-26(37-4)17-27(15-25)38-5)24-6-7-28-29(16-24)33-30(19-31-28)23-18-32-34(3)20-23;1-20-7-5-10-33(20)11-6-12-34(23-13-24(35-3)16-25(14-23)36-4)22-8-9-26-27(15-22)31-28(18-29-26)21-17-30-32(2)19-21;1-6-31-17-19(15-29-31)26-16-28-24-8-7-20(13-25(24)30-26)32(10-9-27-18(2)3)21-11-22(33-4)14-23(12-21)34-5;/h6-7,14-22H,8-13H2,1-5H3;8-9,13-20H,5-7,10-12H2,1-4H3;7-8,11-18,27H,6,9-10H2,1-5H3;1H2/t;20-;;/m.0../s1.

What are the key properties of N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane?

N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane has a molecular weight of 1495.96 g/mol, XLogP of 15.54, 28 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(3,5-dimethoxyphenyl)-N'-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]quinoxalin-6-amine;sulfane is sourced from PubChem (CID 159219257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159219257 — identifiers, structure, computed properties (public domain)

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