7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one

C111H113F2N23O7 — CID 161021631

About 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one

7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 161021631) has the molecular formula C111H113F2N23O7 and a molecular weight of 1919.27 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 161021631
• Molecular Formula: C111H113F2N23O7
• Molecular Weight: 1919.27 g/mol
• Exact Mass: 1917.92
• IUPAC Name: 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: CC(C)N1CCN(c2ccc3c(ncc4c(=O)n(-c5ccccc5)[nH]c43)c2F)CC1.CC1CN(c2ccc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3c2)CC(C)O1.COc1ccc(-n2[nH]c3c(cnc4ccc(N5CCN(C(C)C)CC5)cc43)c2=O)cc1.O=c1c2cnc3c(F)c(N4CCCNCC4)ccc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCCCC4)cc3c2[nH]n1-c1ccccc1
• InChI: InChI=1S/C24H27N5O2.C23H24FN5O.C22H22N4O2.C21H20FN5O.C21H20N4O/c1-16(2)27-10-12-28(13-11-27)18-6-9-22-20(14-18)23-21(15-25-22)24(30)29(26-23)17-4-7-19(31-3)8-5-17;1-15(2)27-10-12-28(13-11-27)19-9-8-17-21-18(14-25-22(17)20(19)24)23(30)29(26-21)16-6-4-3-5-7-16;1-14-12-25(13-15(2)28-14)17-8-9-20-18(10-17)21-19(11-23-20)22(27)26(24-21)16-6-4-3-5-7-16;22-18-17(26-11-4-9-23-10-12-26)8-7-15-19-16(13-24-20(15)18)21(28)27(25-19)14-5-2-1-3-6-14;26-21-18-14-22-19-10-9-16(24-11-5-2-6-12-24)13-17(19)20(18)23-25(21)15-7-3-1-4-8-15/h4-9,14-16,26H,10-13H2,1-3H3;3-9,14-15,26H,10-13H2,1-2H3;3-11,14-15,24H,12-13H2,1-2H3;1-3,5-8,13,23,25H,4,9-12H2;1,3-4,7-10,13-14,23H,2,5-6,11-12H2
• InChIKey: OKJDWCCZCYYGMJ-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 306.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1919.27
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 161021631) is 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one.

What is the SMILES notation for 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?

The canonical SMILES for 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one is CC(C)N1CCN(c2ccc3c(ncc4c(=O)n(-c5ccccc5)[nH]c43)c2F)CC1.CC1CN(c2ccc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3c2)CC(C)O1.COc1ccc(-n2[nH]c3c(cnc4ccc(N5CCN(C(C)C)CC5)cc43)c2=O)cc1.O=c1c2cnc3c(F)c(N4CCCNCC4)ccc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCCCC4)cc3c2[nH]n1-c1ccccc1.

What is the InChIKey of 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?

The InChIKey is OKJDWCCZCYYGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2.C23H24FN5O.C22H22N4O2.C21H20FN5O.C21H20N4O/c1-16(2)27-10-12-28(13-11-27)18-6-9-22-20(14-18)23-21(15-25-22)24(30)29(26-23)17-4-7-19(31-3)8-5-17;1-15(2)27-10-12-28(13-11-27)19-9-8-17-21-18(14-25-22(17)20(19)24)23(30)29(26-21)16-6-4-3-5-7-16;1-14-12-25(13-15(2)28-14)17-8-9-20-18(10-17)21-19(11-23-20)22(27)26(24-21)16-6-4-3-5-7-16;22-18-17(26-11-4-9-23-10-12-26)8-7-15-19-16(13-24-20(15)18)21(28)27(25-19)14-5-2-1-3-6-14;26-21-18-14-22-19-10-9-16(24-11-5-2-6-12-24)13-17(19)20(18)23-25(21)15-7-3-1-4-8-15/h4-9,14-16,26H,10-13H2,1-3H3;3-9,14-15,26H,10-13H2,1-2H3;3-11,14-15,24H,12-13H2,1-2H3;1-3,5-8,13,23,25H,4,9-12H2;1,3-4,7-10,13-14,23H,2,5-6,11-12H2.

What are the key properties of 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?

7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1919.27 g/mol, XLogP of 17.09, 13 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(2,6-dimethylmorpholin-4-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 161021631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).