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

C110H110F4N24O7 — CID 159303137

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

7-(1,4-diazepan-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(2,6-dimethylmorpholin-4-yl)-8-fluoro-2-phenyl-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;8-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 159303137) has the molecular formula C110H110F4N24O7 and a molecular weight of 1956.24 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(2,6-dimethylmorpholin-4-yl)-8-fluoro-2-phenyl-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;8-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 7-(1,4-diazepan-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(2,6-dimethylmorpholin-4-yl)-8-fluoro-2-phenyl-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;8-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 159303137
• Molecular Formula: C110H110F4N24O7
• Molecular Weight: 1956.24 g/mol
• Exact Mass: 1954.89
• IUPAC Name: 7-(1,4-diazepan-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(2,6-dimethylmorpholin-4-yl)-8-fluoro-2-phenyl-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;8-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: CC1CN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC(C)O1.CN(C)C1CCN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC1.CN1CCN(c2cc(F)cc3c2ncc2c(=O)n(-c4ccccc4)[nH]c23)CC1.COCCN1CCN(c2ccc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3c2)CC1.O=c1c2cnc3cc(N4CCCNCC4)c(F)cc3c2[nH]n1-c1ccccc1
• InChI: InChI=1S/C23H24FN5O.C23H25N5O2.C22H21FN4O2.2C21H20FN5O/c1-27(2)15-8-10-28(11-9-15)21-13-20-17(12-19(21)24)22-18(14-25-20)23(30)29(26-22)16-6-4-3-5-7-16;1-30-14-13-26-9-11-27(12-10-26)18-7-8-21-19(15-18)22-20(16-24-21)23(29)28(25-22)17-5-3-2-4-6-17;1-13-11-26(12-14(2)29-13)20-9-19-16(8-18(20)23)21-17(10-24-19)22(28)27(25-21)15-6-4-3-5-7-15;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;22-17-11-15-18(12-19(17)26-9-4-7-23-8-10-26)24-13-16-20(15)25-27(21(16)28)14-5-2-1-3-6-14/h3-7,12-15,26H,8-11H2,1-2H3;2-8,15-16,25H,9-14H2,1H3;3-10,13-14,25H,11-12H2,1-2H3;2-6,11-13,24H,7-10H2,1H3;1-3,5-6,11-13,23,25H,4,7-10H2
• InChIKey: MTGCBDMEFWUEPH-UHFFFAOYSA-N
• XLogP: 15.36
• TPSA: 309.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1956.24
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	6
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)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(2,6-dimethylmorpholin-4-yl)-8-fluoro-2-phenyl-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;8-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 7-(1,4-diazepan-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(2,6-dimethylmorpholin-4-yl)-8-fluoro-2-phenyl-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;8-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 159303137) is 7-(1,4-diazepan-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(2,6-dimethylmorpholin-4-yl)-8-fluoro-2-phenyl-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;8-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

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

The canonical SMILES for 7-(1,4-diazepan-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(2,6-dimethylmorpholin-4-yl)-8-fluoro-2-phenyl-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;8-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is CC1CN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC(C)O1.CN(C)C1CCN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC1.CN1CCN(c2cc(F)cc3c2ncc2c(=O)n(-c4ccccc4)[nH]c23)CC1.COCCN1CCN(c2ccc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3c2)CC1.O=c1c2cnc3cc(N4CCCNCC4)c(F)cc3c2[nH]n1-c1ccccc1.

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

The InChIKey is MTGCBDMEFWUEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O.C23H25N5O2.C22H21FN4O2.2C21H20FN5O/c1-27(2)15-8-10-28(11-9-15)21-13-20-17(12-19(21)24)22-18(14-25-20)23(30)29(26-22)16-6-4-3-5-7-16;1-30-14-13-26-9-11-27(12-10-26)18-7-8-21-19(15-18)22-20(16-24-21)23(29)28(25-22)17-5-3-2-4-6-17;1-13-11-26(12-14(2)29-13)20-9-19-16(8-18(20)23)21-17(10-24-19)22(28)27(25-21)15-6-4-3-5-7-15;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;22-17-11-15-18(12-19(17)26-9-4-7-23-8-10-26)24-13-16-20(15)25-27(21(16)28)14-5-2-1-3-6-14/h3-7,12-15,26H,8-11H2,1-2H3;2-8,15-16,25H,9-14H2,1H3;3-10,13-14,25H,11-12H2,1-2H3;2-6,11-13,24H,7-10H2,1H3;1-3,5-6,11-13,23,25H,4,7-10H2.

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

7-(1,4-diazepan-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(2,6-dimethylmorpholin-4-yl)-8-fluoro-2-phenyl-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;8-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1956.24 g/mol, XLogP of 15.36, 14 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,4-diazepan-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(2,6-dimethylmorpholin-4-yl)-8-fluoro-2-phenyl-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;8-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 159303137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).