6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one

C104H98F4N24O8 — CID 161014128

About 6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one

6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 161014128) has the molecular formula C104H98F4N24O8 and a molecular weight of 1888.08 g/mol. Its IUPAC name is 6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 161014128
• Molecular Formula: C104H98F4N24O8
• Molecular Weight: 1888.08 g/mol
• Exact Mass: 1886.79
• IUPAC Name: 6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: CN1CCN(c2cc(F)cc3c2ncc2c(=O)n(-c4ccccc4)[nH]c23)CC1.COc1ccc(-n2[nH]c3c(cnc4cc(N5CCN(C)CC5)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4cc(N5CCNCC5)ccc43)c2=O)cc1.O=c1c2cnc3c(F)c(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(F)c(N4CCOCC4)cc3c2[nH]n1-c1ccccc1
• InChI: InChI=1S/C22H23N5O2.C21H20FN5O.C21H21N5O2.C20H17F2N5O.C20H17FN4O2/c1-25-9-11-26(12-10-25)16-5-8-18-20(13-16)23-14-19-21(18)24-27(22(19)28)15-3-6-17(29-2)7-4-15;1-25-7-9-26(10-8-25)18-12-14(22)11-16-19-17(13-23-20(16)18)21(28)27(24-19)15-5-3-2-4-6-15;1-28-16-5-2-14(3-6-16)26-21(27)18-13-23-19-12-15(25-10-8-22-9-11-25)4-7-17(19)20(18)24-26;21-15-10-13-17-14(20(28)27(25-17)12-4-2-1-3-5-12)11-24-18(13)16(22)19(15)26-8-6-23-7-9-26;21-16-11-17-14(10-18(16)24-6-8-27-9-7-24)19-15(12-22-17)20(26)25(23-19)13-4-2-1-3-5-13/h3-8,13-14,24H,9-12H2,1-2H3;2-6,11-13,24H,7-10H2,1H3;2-7,12-13,22,24H,8-11H2,1H3;1-5,10-11,23,25H,6-9H2;1-5,10-12,23H,6-9H2
• InChIKey: ATRFFYBICKRGEK-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 327.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1888.08
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 161014128) is 6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one.

What is the SMILES notation for 6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?

The canonical SMILES for 6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one is CN1CCN(c2cc(F)cc3c2ncc2c(=O)n(-c4ccccc4)[nH]c23)CC1.COc1ccc(-n2[nH]c3c(cnc4cc(N5CCN(C)CC5)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4cc(N5CCNCC5)ccc43)c2=O)cc1.O=c1c2cnc3c(F)c(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(F)c(N4CCOCC4)cc3c2[nH]n1-c1ccccc1.

What is the InChIKey of 6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?

The InChIKey is ATRFFYBICKRGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.C21H20FN5O.C21H21N5O2.C20H17F2N5O.C20H17FN4O2/c1-25-9-11-26(12-10-25)16-5-8-18-20(13-16)23-14-19-21(18)24-27(22(19)28)15-3-6-17(29-2)7-4-15;1-25-7-9-26(10-8-25)18-12-14(22)11-16-19-17(13-23-20(16)18)21(28)27(24-19)15-5-3-2-4-6-15;1-28-16-5-2-14(3-6-16)26-21(27)18-13-23-19-12-15(25-10-8-22-9-11-25)4-7-17(19)20(18)24-26;21-15-10-13-17-14(20(28)27(25-17)12-4-2-1-3-5-12)11-24-18(13)16(22)19(15)26-8-6-23-7-9-26;21-16-11-17-14(10-18(16)24-6-8-27-9-7-24)19-15(12-22-17)20(26)25(23-19)13-4-2-1-3-5-13/h3-8,13-14,24H,9-12H2,1-2H3;2-6,11-13,24H,7-10H2,1H3;2-7,12-13,22,24H,8-11H2,1H3;1-5,10-11,23,25H,6-9H2;1-5,10-12,23H,6-9H2.

What are the key properties of 6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?

6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1888.08 g/mol, XLogP of 13.07, 12 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-difluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 161014128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).