propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one

C59H71ClN12O6Si — CID 157297121

About propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one

propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 157297121) has the molecular formula C59H71ClN12O6Si and a molecular weight of 1107.83 g/mol. Its IUPAC name is propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one
• PubChem CID: 157297121
• Molecular Formula: C59H71ClN12O6Si
• Molecular Weight: 1107.83 g/mol
• Exact Mass: 1106.51
• IUPAC Name: propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one
• SMILES: CCC(=O)Cl.CCC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1.CCC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(-c5ccnn5COCC[Si](C)(C)C)cn4)ccc3n2)CC1
• InChI: InChI=1S/C31H40N6O3Si.C25H26N6O2.C3H5ClO/c1-5-31(38)36-16-14-35(15-17-36)22-26-8-6-24-20-27(9-10-28(24)34-26)40-30-11-7-25(21-32-30)29-12-13-33-37(29)23-39-18-19-41(2,3)4;1-2-25(32)31-13-11-30(12-14-31)17-20-5-3-18-15-21(6-7-22(18)28-20)33-24-8-4-19(16-26-24)23-9-10-27-29-23;1-2-3(4)5/h6-13,20-21H,5,14-19,22-23H2,1-4H3;3-10,15-16H,2,11-14,17H2,1H3,(H,27,29);2H2,1H3
• InChIKey: BBLXFMHEPONRJN-UHFFFAOYSA-N
• XLogP: 10.68
• TPSA: 189.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1107.83
LogP ≤ 5	10.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one?

The IUPAC name of propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one (CID 157297121) is propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one?

The canonical SMILES for propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one is CCC(=O)Cl.CCC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1.CCC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(-c5ccnn5COCC[Si](C)(C)C)cn4)ccc3n2)CC1.

What is the InChIKey of propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one?

The InChIKey is BBLXFMHEPONRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O3Si.C25H26N6O2.C3H5ClO/c1-5-31(38)36-16-14-35(15-17-36)22-26-8-6-24-20-27(9-10-28(24)34-26)40-30-11-7-25(21-32-30)29-12-13-33-37(29)23-39-18-19-41(2,3)4;1-2-25(32)31-13-11-30(12-14-31)17-20-5-3-18-15-21(6-7-22(18)28-20)33-24-8-4-19(16-26-24)23-9-10-27-29-23;1-2-3(4)5/h6-13,20-21H,5,14-19,22-23H2,1-4H3;3-10,15-16H,2,11-14,17H2,1H3,(H,27,29);2H2,1H3.

What are the key properties of propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one?

propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 1107.83 g/mol, XLogP of 10.68, 18 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for propanoyl chloride;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 157297121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).