N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride

C26H35ClN6O2Si — CID 54591360

About N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride

N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride (PubChem CID 54591360) has the molecular formula C26H35ClN6O2Si and a molecular weight of 527.15 g/mol. Its IUPAC name is N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

• Compound Name: N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride
• PubChem CID: 54591360
• Molecular Formula: C26H35ClN6O2Si
• Molecular Weight: 527.15 g/mol
• Exact Mass: 526.23
• IUPAC Name: N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride
• SMILES: COc1cc(OC)cc(N(CCNC[Si](C)(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
• InChI: InChI=1S/C26H34N6O2Si.ClH/c1-31-17-19(15-29-31)26-16-28-24-8-7-20(13-25(24)30-26)32(10-9-27-18-35(4,5)6)21-11-22(33-2)14-23(12-21)34-3;/h7-8,11-17,27H,9-10,18H2,1-6H3;1H
• InChIKey: JMKXJKVYUUVONH-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.15
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride?

The IUPAC name of N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride (CID 54591360) is N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride.

What is the SMILES notation for N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride?

The canonical SMILES for N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride is COc1cc(OC)cc(N(CCNC[Si](C)(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl.

What is the InChIKey of N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride?

The InChIKey is JMKXJKVYUUVONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2Si.ClH/c1-31-17-19(15-29-31)26-16-28-24-8-7-20(13-25(24)30-26)32(10-9-27-18-35(4,5)6)21-11-22(33-2)14-23(12-21)34-3;/h7-8,11-17,27H,9-10,18H2,1-6H3;1H.

What are the key properties of N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride?

N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 527.15 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-(trimethylsilylmethyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 54591360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).