8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one

C₁₂₉H₁₅₃N₃₃O₈ — CID 158845242

About 8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one

8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 158845242) has the molecular formula C₁₂₉H₁₅₃N₃₃O₈ and a molecular weight of 2293.87 g/mol. Its IUPAC name is 8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

• Compound Name: 8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one
• PubChem CID: 158845242
• Molecular Formula: C₁₂₉H₁₅₃N₃₃O₈
• Molecular Weight: 2293.87 g/mol
• Exact Mass: 2292.26
• IUPAC Name: 8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one
• SMILES: CC(=O)N1CCN(CC#Cc2ccc3c(c2)c2n[nH]c(C)c2c(=O)n3CCCN)CC1.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN3CCCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN3CCN(C)CC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN3CCOCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCn3ccnc3)cc21
• InChI: InChI=1S/C23H28N6O2.C22H28N6O.C22H27N5O.C21H25N5O2.C21H25N5O.C20H20N6O/c1-16-21-22(26-25-16)19-15-18(6-7-20(19)29(23(21)31)10-4-8-24)5-3-9-27-11-13-28(14-12-27)17(2)30;1-16-20-21(25-24-16)18-15-17(5-3-9-27-13-11-26(2)12-14-27)6-7-19(18)28(22(20)29)10-4-8-23;1-16-20-21(25-24-16)18-15-17(7-5-13-26-11-3-2-4-12-26)8-9-19(18)27(22(20)28)14-6-10-23;1-15-19-20(24-23-15)17-14-16(4-2-8-25-10-12-28-13-11-25)5-6-18(17)26(21(19)27)9-3-7-22;1-15-19-20(24-23-15)17-14-16(6-4-12-25-10-2-3-11-25)7-8-18(17)26(21(19)27)13-5-9-22;1-14-18-19(24-23-14)16-12-15(4-2-9-25-11-8-22-13-25)5-6-17(16)26(20(18)27)10-3-7-21/h6-7,15H,4,8-14,24H2,1-2H3,(H,25,26);6-7,15H,4,8-14,23H2,1-2H3,(H,24,25);8-9,15H,2-4,6,10-14,23H2,1H3,(H,24,25);5-6,14H,3,7-13,22H2,1H3,(H,23,24);7-8,14H,2-3,5,9-13,22H2,1H3,(H,23,24);5-6,8,11-13H,3,7,9-10,21H2,1H3,(H,23,24)
• InChIKey: IYSYSOOWNQDVSI-UHFFFAOYSA-N
• XLogP: 9.54
• TPSA: 527.00 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2293.87
LogP ≤ 5	9.54
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The IUPAC name of 8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one (CID 158845242) is 8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one.

What is the SMILES notation for 8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The canonical SMILES for 8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one is CC(=O)N1CCN(CC#Cc2ccc3c(c2)c2n[nH]c(C)c2c(=O)n3CCCN)CC1.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN3CCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN3CCCCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN3CCN(C)CC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN3CCOCC3)cc21.Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCn3ccnc3)cc21.

What is the InChIKey of 8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

The InChIKey is IYSYSOOWNQDVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2.C22H28N6O.C22H27N5O.C21H25N5O2.C21H25N5O.C20H20N6O/c1-16-21-22(26-25-16)19-15-18(6-7-20(19)29(23(21)31)10-4-8-24)5-3-9-27-11-13-28(14-12-27)17(2)30;1-16-20-21(25-24-16)18-15-17(5-3-9-27-13-11-26(2)12-14-27)6-7-19(18)28(22(20)29)10-4-8-23;1-16-20-21(25-24-16)18-15-17(7-5-13-26-11-3-2-4-12-26)8-9-19(18)27(22(20)28)14-6-10-23;1-15-19-20(24-23-15)17-14-16(4-2-8-25-10-12-28-13-11-25)5-6-18(17)26(21(19)27)9-3-7-22;1-15-19-20(24-23-15)17-14-16(6-4-12-25-10-2-3-11-25)7-8-18(17)26(21(19)27)13-5-9-22;1-14-18-19(24-23-14)16-12-15(4-2-9-25-11-8-22-13-25)5-6-17(16)26(20(18)27)10-3-7-21/h6-7,15H,4,8-14,24H2,1-2H3,(H,25,26);6-7,15H,4,8-14,23H2,1-2H3,(H,24,25);8-9,15H,2-4,6,10-14,23H2,1H3,(H,24,25);5-6,14H,3,7-13,22H2,1H3,(H,23,24);7-8,14H,2-3,5,9-13,22H2,1H3,(H,23,24);5-6,8,11-13H,3,7,9-10,21H2,1H3,(H,23,24).

What are the key properties of 8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one?

8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 2293.87 g/mol, XLogP of 9.54, 24 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 158845242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158845242 — identifiers, structure, computed properties (public domain)

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