7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-pyridin-2-yl-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;2-phenyl-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one

C108H107F3N24O8 — CID 158029116

About 7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-pyridin-2-yl-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;2-phenyl-8-(4-propan-2-ylpiperazin-1-yl)-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;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-pyridin-2-yl-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;2-phenyl-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 158029116) has the molecular formula C108H107F3N24O8 and a molecular weight of 1926.20 g/mol. Its IUPAC name is 7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-pyridin-2-yl-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;2-phenyl-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-pyridin-2-yl-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;2-phenyl-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 158029116
• Molecular Formula: C108H107F3N24O8
• Molecular Weight: 1926.20 g/mol
• Exact Mass: 1924.87
• IUPAC Name: 7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-pyridin-2-yl-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;2-phenyl-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: CC(C)N1CCN(c2ccc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3c2)CC1.CN(C)C1CCN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC1.COCCN1CCN(c2ccc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3c2)CC1.O=c1c2cnc3cc(N4CCOCC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCOCC4)c(F)cc3c2[nH]n1-c1ccccn1
• InChI: InChI=1S/C23H24FN5O.C23H25N5O2.C23H25N5O.C20H17FN4O2.C19H16FN5O2/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;1-16(2)26-10-12-27(13-11-26)18-8-9-21-19(14-18)22-20(15-24-21)23(29)28(25-22)17-6-4-3-5-7-17;21-16-10-14-17(11-18(16)24-6-8-27-9-7-24)22-12-15-19(14)23-25(20(15)26)13-4-2-1-3-5-13;20-14-9-12-15(10-16(14)24-5-7-27-8-6-24)22-11-13-18(12)23-25(19(13)26)17-3-1-2-4-21-17/h3-7,12-15,26H,8-11H2,1-2H3;2-8,15-16,25H,9-14H2,1H3;3-9,14-16,25H,10-13H2,1-2H3;1-5,10-12,23H,6-9H2;1-4,9-11,23H,5-8H2
• InChIKey: CQQNFIYLPOUGFH-UHFFFAOYSA-N
• XLogP: 14.65
• TPSA: 319.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1926.20
LogP ≤ 5	14.65
H-Bond Donors ≤ 5	5
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 7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-pyridin-2-yl-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;2-phenyl-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-pyridin-2-yl-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;2-phenyl-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 158029116) is 7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-pyridin-2-yl-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;2-phenyl-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.

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

The canonical SMILES for 7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-pyridin-2-yl-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;2-phenyl-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is CC(C)N1CCN(c2ccc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3c2)CC1.CN(C)C1CCN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC1.COCCN1CCN(c2ccc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3c2)CC1.O=c1c2cnc3cc(N4CCOCC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCOCC4)c(F)cc3c2[nH]n1-c1ccccn1.

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

The InChIKey is CQQNFIYLPOUGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O.C23H25N5O2.C23H25N5O.C20H17FN4O2.C19H16FN5O2/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;1-16(2)26-10-12-27(13-11-26)18-8-9-21-19(14-18)22-20(15-24-21)23(29)28(25-22)17-6-4-3-5-7-17;21-16-10-14-17(11-18(16)24-6-8-27-9-7-24)22-12-15-19(14)23-25(20(15)26)13-4-2-1-3-5-13;20-14-9-12-15(10-16(14)24-5-7-27-8-6-24)22-11-13-18(12)23-25(19(13)26)17-3-1-2-4-21-17/h3-7,12-15,26H,8-11H2,1-2H3;2-8,15-16,25H,9-14H2,1H3;3-9,14-16,25H,10-13H2,1-2H3;1-5,10-12,23H,6-9H2;1-4,9-11,23H,5-8H2.

What are the key properties of 7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-pyridin-2-yl-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;2-phenyl-8-(4-propan-2-ylpiperazin-1-yl)-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;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-pyridin-2-yl-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;2-phenyl-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1926.20 g/mol, XLogP of 14.65, 15 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(dimethylamino)piperidin-1-yl]-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-7-morpholin-4-yl-2-pyridin-2-yl-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;2-phenyl-8-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 158029116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).