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

C105H94F9N23O8 — CID 158468336

About 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-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;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 158468336) has the molecular formula C105H94F9N23O8 and a molecular weight of 1977.04 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-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;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 158468336
• Molecular Formula: C105H94F9N23O8
• Molecular Weight: 1977.04 g/mol
• Exact Mass: 1975.75
• IUPAC Name: 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: COc1ccc(-n2[nH]c3c(cnc4c(F)c(N5CCN(C)CC5)c(F)cc43)c2=O)cc1.O=c1c2cnc3c(F)c(N4CCCNCC4)ccc3c2[nH]n1-c1ccccc1.O=c1c2cnc3c(F)c(N4CCOCC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3c(F)c(N4CCOCC4)ccc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCCNCC4)c(C(F)(F)F)cc3c2[nH]n1-c1ccccc1
• InChI: InChI=1S/C22H20F3N5O.C22H21F2N5O2.C21H20FN5O.C20H16F2N4O2.C20H17FN4O2/c23-22(24,25)17-11-15-18(12-19(17)29-9-4-7-26-8-10-29)27-13-16-20(15)28-30(21(16)31)14-5-2-1-3-6-14;1-27-7-9-28(10-8-27)21-17(23)11-15-19-16(12-25-20(15)18(21)24)22(30)29(26-19)13-3-5-14(31-2)6-4-13;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;21-15-10-13-17-14(20(27)26(24-17)12-4-2-1-3-5-12)11-23-18(13)16(22)19(15)25-6-8-28-9-7-25;21-17-16(24-8-10-27-11-9-24)7-6-14-18-15(12-22-19(14)17)20(26)25(23-18)13-4-2-1-3-5-13/h1-3,5-6,11-13,26,28H,4,7-10H2;3-6,11-12,26H,7-10H2,1-2H3;1-3,5-8,13,23,25H,4,9-12H2;1-5,10-11,24H,6-9H2;1-7,12,23H,8-11H2
• InChIKey: QAXPSKGLRFKDPR-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 324.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1977.04
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

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;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-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;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 158468336) is 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-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;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-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;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4c(F)c(N5CCN(C)CC5)c(F)cc43)c2=O)cc1.O=c1c2cnc3c(F)c(N4CCCNCC4)ccc3c2[nH]n1-c1ccccc1.O=c1c2cnc3c(F)c(N4CCOCC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3c(F)c(N4CCOCC4)ccc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCCNCC4)c(C(F)(F)F)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;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?

The InChIKey is QAXPSKGLRFKDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O.C22H21F2N5O2.C21H20FN5O.C20H16F2N4O2.C20H17FN4O2/c23-22(24,25)17-11-15-18(12-19(17)29-9-4-7-26-8-10-29)27-13-16-20(15)28-30(21(16)31)14-5-2-1-3-6-14;1-27-7-9-28(10-8-27)21-17(23)11-15-19-16(12-25-20(15)18(21)24)22(30)29(26-19)13-3-5-14(31-2)6-4-13;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;21-15-10-13-17-14(20(27)26(24-17)12-4-2-1-3-5-12)11-23-18(13)16(22)19(15)25-6-8-28-9-7-25;21-17-16(24-8-10-27-11-9-24)7-6-14-18-15(12-22-19(14)17)20(26)25(23-18)13-4-2-1-3-5-13/h1-3,5-6,11-13,26,28H,4,7-10H2;3-6,11-12,26H,7-10H2,1-2H3;1-3,5-8,13,23,25H,4,9-12H2;1-5,10-11,24H,6-9H2;1-7,12,23H,8-11H2.

What are the key properties of 7-(1,4-diazepan-1-yl)-6-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-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;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1977.04 g/mol, XLogP of 15.22, 11 rotatable bonds, 7 hydrogen bond donors, and 26 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;7-(1,4-diazepan-1-yl)-2-phenyl-8-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-2-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;6,8-difluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 158468336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).