8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one

C87H63Br3F3N15O8 — CID 160666652

About 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one

8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 160666652) has the molecular formula C87H63Br3F3N15O8 and a molecular weight of 1746.28 g/mol. Its IUPAC name is 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 160666652
• Molecular Formula: C87H63Br3F3N15O8
• Molecular Weight: 1746.28 g/mol
• Exact Mass: 1742.27
• IUPAC Name: 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: COc1cccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)c1.Cc1ccc(-n2[nH]c3c(cnc4c(F)cc(Br)cc43)c2=O)cc1.Cc1cccc(-n2[nH]c3c(cnc4c(F)cc(Br)cc43)c2=O)c1.Cc1ccccc1-n1[nH]c2c(cnc3c(F)cc(Br)cc32)c1=O.[2H]C([2H])([2H])Oc1cccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)c1
• InChI: InChI=1S/C18H15N3O3.C18H15N3O2.3C17H11BrFN3O/c1-24-13-4-2-3-12(8-13)21-18(23)15-9-19-16-7-11(10-22)5-6-14(16)17(15)20-21;1-11-6-7-14-16(8-11)19-10-15-17(14)20-21(18(15)22)12-4-3-5-13(9-12)23-2;1-9-2-4-11(5-3-9)22-17(23)13-8-20-16-12(15(13)21-22)6-10(18)7-14(16)19;1-9-3-2-4-11(5-9)22-17(23)13-8-20-16-12(15(13)21-22)6-10(18)7-14(16)19;1-9-4-2-3-5-14(9)22-17(23)12-8-20-16-11(15(12)21-22)6-10(18)7-13(16)19/h2-9,20,22H,10H2,1H3;3-10,20H,1-2H3;3*2-8,21H,1H3/i1D3
• InChIKey: KQIKZZLFVMUSMR-HCUZFQMISA-N
• XLogP: 17.78
• TPSA: 292.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1746.28
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 160666652) is 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one.

What is the SMILES notation for 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one?

The canonical SMILES for 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one is COc1cccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)c1.Cc1ccc(-n2[nH]c3c(cnc4c(F)cc(Br)cc43)c2=O)cc1.Cc1cccc(-n2[nH]c3c(cnc4c(F)cc(Br)cc43)c2=O)c1.Cc1ccccc1-n1[nH]c2c(cnc3c(F)cc(Br)cc32)c1=O.[2H]C([2H])([2H])Oc1cccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)c1.

What is the InChIKey of 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one?

The InChIKey is KQIKZZLFVMUSMR-HCUZFQMISA-N. The full InChI is InChI=1S/C18H15N3O3.C18H15N3O2.3C17H11BrFN3O/c1-24-13-4-2-3-12(8-13)21-18(23)15-9-19-16-7-11(10-22)5-6-14(16)17(15)20-21;1-11-6-7-14-16(8-11)19-10-15-17(14)20-21(18(15)22)12-4-3-5-13(9-12)23-2;1-9-2-4-11(5-3-9)22-17(23)13-8-20-16-12(15(13)21-22)6-10(18)7-14(16)19;1-9-3-2-4-11(5-9)22-17(23)13-8-20-16-12(15(13)21-22)6-10(18)7-14(16)19;1-9-4-2-3-5-14(9)22-17(23)12-8-20-16-11(15(12)21-22)6-10(18)7-13(16)19/h2-9,20,22H,10H2,1H3;3-10,20H,1-2H3;3*2-8,21H,1H3/i1D3;;;;.

What are the key properties of 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one?

8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1746.28 g/mol, XLogP of 17.78, 9 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 160666652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).