5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine

C68H72Cl7N17O7 — CID 160613655

About 5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine

5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine (PubChem CID 160613655) has the molecular formula C68H72Cl7N17O7 and a molecular weight of 1487.61 g/mol. Its IUPAC name is 5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine.

Molecular Properties

• Compound Name: 5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine
• PubChem CID: 160613655
• Molecular Formula: C68H72Cl7N17O7
• Molecular Weight: 1487.61 g/mol
• Exact Mass: 1483.36
• IUPAC Name: 5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine
• SMILES: CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12.CN1CCN(c2nc3ccc(Cl)cc3c3cn(C)nc23)CC1.CN1CCNCC1.CNN.Clc1ccc2[nH]ccc2c1.Cn1cc2c(n1)c(=O)[nH]c1ccc(Cl)cc12.Cn1cc2c(n1)c(Cl)nc1ccc(Cl)cc12
• InChI: InChI=1S/C16H18ClN5.C12H10ClNO3.C11H7Cl2N3.C11H8ClN3O.C8H6ClN.C5H12N2.C4H5ClO3.CH6N2/c1-20-5-7-22(8-6-20)16-15-13(10-21(2)19-15)12-9-11(17)3-4-14(12)18-16;1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10;1-16-5-8-7-4-6(12)2-3-9(7)14-11(13)10(8)15-16;1-15-5-8-7-4-6(12)2-3-9(7)13-11(16)10(8)14-15;9-7-1-2-8-6(5-7)3-4-10-8;1-7-4-2-6-3-5-7;1-2-8-4(7)3(5)6;1-3-2/h3-4,9-10H,5-8H2,1-2H3;3-6,14H,2H2,1H3;2-5H,1H3;2-5H,1H3,(H,13,16);1-5,10H;6H,2-5H2,1H3;2H2,1H3;3H,2H2,1H3
• InChIKey: RFUNHGKRWSYMMP-UHFFFAOYSA-N
• XLogP: 12.33
• TPSA: 290.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 6
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1487.61
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine?

The IUPAC name of 5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine (CID 160613655) is 5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine.

What is the SMILES notation for 5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine?

The canonical SMILES for 5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine is CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12.CN1CCN(c2nc3ccc(Cl)cc3c3cn(C)nc23)CC1.CN1CCNCC1.CNN.Clc1ccc2[nH]ccc2c1.Cn1cc2c(n1)c(=O)[nH]c1ccc(Cl)cc12.Cn1cc2c(n1)c(Cl)nc1ccc(Cl)cc12.

What is the InChIKey of 5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine?

The InChIKey is RFUNHGKRWSYMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5.C12H10ClNO3.C11H7Cl2N3.C11H8ClN3O.C8H6ClN.C5H12N2.C4H5ClO3.CH6N2/c1-20-5-7-22(8-6-20)16-15-13(10-21(2)19-15)12-9-11(17)3-4-14(12)18-16;1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10;1-16-5-8-7-4-6(12)2-3-9(7)14-11(13)10(8)15-16;1-15-5-8-7-4-6(12)2-3-9(7)13-11(16)10(8)14-15;9-7-1-2-8-6(5-7)3-4-10-8;1-7-4-2-6-3-5-7;1-2-8-4(7)3(5)6;1-3-2/h3-4,9-10H,5-8H2,1-2H3;3-6,14H,2H2,1H3;2-5H,1H3;2-5H,1H3,(H,13,16);1-5,10H;6H,2-5H2,1H3;2H2,1H3;3H,2H2,1H3.

What are the key properties of 5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine?

5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine has a molecular weight of 1487.61 g/mol, XLogP of 12.33, 6 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1H-indole;8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;8-chloro-2-methyl-5H-pyrazolo[3,4-c]quinolin-4-one;4,8-dichloro-2-methylpyrazolo[3,4-c]quinoline;ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;methylhydrazine;1-methylpiperazine is sourced from PubChem (CID 160613655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).