8-bromo-2-(4-chlorophenyl)-6-fluoro-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one

C84H54Br3Cl2F4N15O8 — CID 161432222

About 8-bromo-2-(4-chlorophenyl)-6-fluoro-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one

8-bromo-2-(4-chlorophenyl)-6-fluoro-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 161432222) has the molecular formula C84H54Br3Cl2F4N15O8 and a molecular weight of 1788.06 g/mol. Its IUPAC name is 8-bromo-2-(4-chlorophenyl)-6-fluoro-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 8-bromo-2-(4-chlorophenyl)-6-fluoro-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 161432222
• Molecular Formula: C84H54Br3Cl2F4N15O8
• Molecular Weight: 1788.06 g/mol
• Exact Mass: 1783.11
• IUPAC Name: 8-bromo-2-(4-chlorophenyl)-6-fluoro-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: COc1ccc(-n2[nH]c3c(cnc4c(F)cc(Br)cc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.COc1ccccc1-n1[nH]c2c(cnc3ccc(Cl)cc32)c1=O.O=c1c2cnc3c(F)cc(Br)cc3c2[nH]n1-c1ccc(Cl)cc1.O=c1c2cnc3c(F)cc(Br)cc3c2[nH]n1-c1ccc(F)cc1
• InChI: InChI=1S/C18H15N3O2.C17H11BrFN3O2.C17H12ClN3O2.C16H8BrClFN3O.C16H8BrF2N3O/c1-11-3-8-14-16(9-11)19-10-15-17(14)20-21(18(15)22)12-4-6-13(23-2)7-5-12;1-24-11-4-2-10(3-5-11)22-17(23)13-8-20-16-12(15(13)21-22)6-9(18)7-14(16)19;1-23-15-5-3-2-4-14(15)21-17(22)12-9-19-13-7-6-10(18)8-11(13)16(12)20-21;2*17-8-5-11-14-12(7-20-15(11)13(19)6-8)16(23)22(21-14)10-3-1-9(18)2-4-10/h3-10,20H,1-2H3;2-8,21H,1H3;2-9,20H,1H3;2*1-7,21H
• InChIKey: ZBTOMEVCRKBHRG-UHFFFAOYSA-N
• XLogP: 18.82
• TPSA: 281.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1788.06
LogP ≤ 5	18.82
H-Bond Donors ≤ 5	5
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-2-(4-chlorophenyl)-6-fluoro-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 8-bromo-2-(4-chlorophenyl)-6-fluoro-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 161432222) is 8-bromo-2-(4-chlorophenyl)-6-fluoro-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one.

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

The canonical SMILES for 8-bromo-2-(4-chlorophenyl)-6-fluoro-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4c(F)cc(Br)cc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.COc1ccccc1-n1[nH]c2c(cnc3ccc(Cl)cc32)c1=O.O=c1c2cnc3c(F)cc(Br)cc3c2[nH]n1-c1ccc(Cl)cc1.O=c1c2cnc3c(F)cc(Br)cc3c2[nH]n1-c1ccc(F)cc1.

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

The InChIKey is ZBTOMEVCRKBHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2.C17H11BrFN3O2.C17H12ClN3O2.C16H8BrClFN3O.C16H8BrF2N3O/c1-11-3-8-14-16(9-11)19-10-15-17(14)20-21(18(15)22)12-4-6-13(23-2)7-5-12;1-24-11-4-2-10(3-5-11)22-17(23)13-8-20-16-12(15(13)21-22)6-9(18)7-14(16)19;1-23-15-5-3-2-4-14(15)21-17(22)12-9-19-13-7-6-10(18)8-11(13)16(12)20-21;2*17-8-5-11-14-12(7-20-15(11)13(19)6-8)16(23)22(21-14)10-3-1-9(18)2-4-10/h3-10,20H,1-2H3;2-8,21H,1H3;2-9,20H,1H3;2*1-7,21H.

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

8-bromo-2-(4-chlorophenyl)-6-fluoro-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1788.06 g/mol, XLogP of 18.82, 8 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-(4-chlorophenyl)-6-fluoro-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 161432222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).