2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

C82H79ClFN21O5 — CID 161336292

About 2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 161336292) has the molecular formula C82H79ClFN21O5 and a molecular weight of 1493.13 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 161336292
• Molecular Formula: C82H79ClFN21O5
• Molecular Weight: 1493.13 g/mol
• Exact Mass: 1491.62
• IUPAC Name: 2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: CN1CCN(c2cc3ncc4c(=O)n(-c5ccccn5)[nH]c4c3cc2F)CC1.CN1CCN(c2ccc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3c2)CC1.COc1ccc(-n2[nH]c3c(cnc4ccc(N5CCNCC5)cc43)c2=O)cc1.O=c1c2cnc3ccc(N4CCNCC4)cc3c2[nH]n1-c1ccc(Cl)cc1
• InChI: InChI=1S/C21H21N5O2.C21H21N5O.C20H18ClN5O.C20H19FN6O/c1-28-16-5-2-14(3-6-16)26-21(27)18-13-23-19-7-4-15(12-17(19)20(18)24-26)25-10-8-22-9-11-25;1-24-9-11-25(12-10-24)16-7-8-19-17(13-16)20-18(14-22-19)21(27)26(23-20)15-5-3-2-4-6-15;21-13-1-3-14(4-2-13)26-20(27)17-12-23-18-6-5-15(11-16(18)19(17)24-26)25-9-7-22-8-10-25;1-25-6-8-26(9-7-25)17-11-16-13(10-15(17)21)19-14(12-23-16)20(28)27(24-19)18-4-2-3-5-22-18/h2-7,12-13,22,24H,8-11H2,1H3;2-8,13-14,23H,9-12H2,1H3;1-6,11-12,22,24H,7-10H2;2-5,10-12,24H,6-9H2,1H3
• InChIKey: GLOGMOJOTMKXFQ-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 268.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1493.13
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 161336292) is 2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

What is the SMILES notation for 2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?

The canonical SMILES for 2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is CN1CCN(c2cc3ncc4c(=O)n(-c5ccccn5)[nH]c4c3cc2F)CC1.CN1CCN(c2ccc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3c2)CC1.COc1ccc(-n2[nH]c3c(cnc4ccc(N5CCNCC5)cc43)c2=O)cc1.O=c1c2cnc3ccc(N4CCNCC4)cc3c2[nH]n1-c1ccc(Cl)cc1.

What is the InChIKey of 2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?

The InChIKey is GLOGMOJOTMKXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2.C21H21N5O.C20H18ClN5O.C20H19FN6O/c1-28-16-5-2-14(3-6-16)26-21(27)18-13-23-19-7-4-15(12-17(19)20(18)24-26)25-10-8-22-9-11-25;1-24-9-11-25(12-10-24)16-7-8-19-17(13-16)20-18(14-22-19)21(27)26(23-20)15-5-3-2-4-6-15;21-13-1-3-14(4-2-13)26-20(27)17-12-23-18-6-5-15(11-16(18)19(17)24-26)25-9-7-22-8-10-25;1-25-6-8-26(9-7-25)17-11-16-13(10-15(17)21)19-14(12-23-16)20(28)27(24-19)18-4-2-3-5-22-18/h2-7,12-13,22,24H,8-11H2,1H3;2-8,13-14,23H,9-12H2,1H3;1-6,11-12,22,24H,7-10H2;2-5,10-12,24H,6-9H2,1H3.

What are the key properties of 2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?

2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1493.13 g/mol, XLogP of 9.99, 9 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 161336292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).