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

C73H87Cl2N17O7 — CID 158127574

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

4-chloro-2,8-dimethylpyrazolo[3,4-c]quinoline;2,8-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2,8-dimethyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-chloro-2-oxoacetate;ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate;methylhydrazine;5-methyl-1H-indole;1-methylpiperazine (PubChem CID 158127574) has the molecular formula C73H87Cl2N17O7 and a molecular weight of 1385.52 g/mol. Its IUPAC name is 4-chloro-2,8-dimethylpyrazolo[3,4-c]quinoline;2,8-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2,8-dimethyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-chloro-2-oxoacetate;ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate;methylhydrazine;5-methyl-1H-indole;1-methylpiperazine.

Molecular Properties

• Compound Name: 4-chloro-2,8-dimethylpyrazolo[3,4-c]quinoline;2,8-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2,8-dimethyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-chloro-2-oxoacetate;ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate;methylhydrazine;5-methyl-1H-indole;1-methylpiperazine
• PubChem CID: 158127574
• Molecular Formula: C73H87Cl2N17O7
• Molecular Weight: 1385.52 g/mol
• Exact Mass: 1383.64
• IUPAC Name: 4-chloro-2,8-dimethylpyrazolo[3,4-c]quinoline;2,8-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2,8-dimethyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-chloro-2-oxoacetate;ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate;methylhydrazine;5-methyl-1H-indole;1-methylpiperazine
• SMILES: CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)c1c[nH]c2ccc(C)cc12.CN1CCNCC1.CNN.Cc1ccc2[nH]c(=O)c3nn(C)cc3c2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2nc(Cl)c3nn(C)cc3c2c1.Cc1ccc2nc(N3CCN(C)CC3)c3nn(C)cc3c2c1
• InChI: InChI=1S/C17H21N5.C13H13NO3.C12H10ClN3.C12H11N3O.C9H9N.C5H12N2.C4H5ClO3.CH6N2/c1-12-4-5-15-13(10-12)14-11-21(3)19-16(14)17(18-15)22-8-6-20(2)7-9-22;1-3-17-13(16)12(15)10-7-14-11-5-4-8(2)6-9(10)11;1-7-3-4-10-8(5-7)9-6-16(2)15-11(9)12(13)14-10;1-7-3-4-10-8(5-7)9-6-15(2)14-11(9)12(16)13-10;1-7-2-3-9-8(6-7)4-5-10-9;1-7-4-2-6-3-5-7;1-2-8-4(7)3(5)6;1-3-2/h4-5,10-11H,6-9H2,1-3H3;4-7,14H,3H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H,13,16);2-6,10H,1H3;6H,2-5H2,1H3;2H2,1H3;3H,2H2,1H3
• InChIKey: FSJINCMBAOCPIU-UHFFFAOYSA-N
• XLogP: 10.60
• 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	1385.52
LogP ≤ 5	10.60
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 4-chloro-2,8-dimethylpyrazolo[3,4-c]quinoline;2,8-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2,8-dimethyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-chloro-2-oxoacetate;ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate;methylhydrazine;5-methyl-1H-indole;1-methylpiperazine?

The IUPAC name of 4-chloro-2,8-dimethylpyrazolo[3,4-c]quinoline;2,8-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2,8-dimethyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-chloro-2-oxoacetate;ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate;methylhydrazine;5-methyl-1H-indole;1-methylpiperazine (CID 158127574) is 4-chloro-2,8-dimethylpyrazolo[3,4-c]quinoline;2,8-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2,8-dimethyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-chloro-2-oxoacetate;ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate;methylhydrazine;5-methyl-1H-indole;1-methylpiperazine.

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

The canonical SMILES for 4-chloro-2,8-dimethylpyrazolo[3,4-c]quinoline;2,8-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2,8-dimethyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-chloro-2-oxoacetate;ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate;methylhydrazine;5-methyl-1H-indole;1-methylpiperazine is CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)c1c[nH]c2ccc(C)cc12.CN1CCNCC1.CNN.Cc1ccc2[nH]c(=O)c3nn(C)cc3c2c1.Cc1ccc2[nH]ccc2c1.Cc1ccc2nc(Cl)c3nn(C)cc3c2c1.Cc1ccc2nc(N3CCN(C)CC3)c3nn(C)cc3c2c1.

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

The InChIKey is FSJINCMBAOCPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5.C13H13NO3.C12H10ClN3.C12H11N3O.C9H9N.C5H12N2.C4H5ClO3.CH6N2/c1-12-4-5-15-13(10-12)14-11-21(3)19-16(14)17(18-15)22-8-6-20(2)7-9-22;1-3-17-13(16)12(15)10-7-14-11-5-4-8(2)6-9(10)11;1-7-3-4-10-8(5-7)9-6-16(2)15-11(9)12(13)14-10;1-7-3-4-10-8(5-7)9-6-15(2)14-11(9)12(16)13-10;1-7-2-3-9-8(6-7)4-5-10-9;1-7-4-2-6-3-5-7;1-2-8-4(7)3(5)6;1-3-2/h4-5,10-11H,6-9H2,1-3H3;4-7,14H,3H2,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H,13,16);2-6,10H,1H3;6H,2-5H2,1H3;2H2,1H3;3H,2H2,1H3.

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

4-chloro-2,8-dimethylpyrazolo[3,4-c]quinoline;2,8-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2,8-dimethyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-chloro-2-oxoacetate;ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate;methylhydrazine;5-methyl-1H-indole;1-methylpiperazine has a molecular weight of 1385.52 g/mol, XLogP of 10.60, 6 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2,8-dimethylpyrazolo[3,4-c]quinoline;2,8-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2,8-dimethyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-chloro-2-oxoacetate;ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate;methylhydrazine;5-methyl-1H-indole;1-methylpiperazine is sourced from PubChem (CID 158127574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).