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

C49H27Br3ClF4N9O4 — CID 158274753

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-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 (PubChem CID 158274753) has the molecular formula C49H27Br3ClF4N9O4 and a molecular weight of 1156.97 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.

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
• PubChem CID: 158274753
• Molecular Formula: C49H27Br3ClF4N9O4
• Molecular Weight: 1156.97 g/mol
• Exact Mass: 1152.94
• 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
• SMILES: COc1ccc(-n2[nH]c3c(cnc4c(F)cc(Br)cc43)c2=O)cc1.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/C17H11BrFN3O2.C16H8BrClFN3O.C16H8BrF2N3O/c1-24-11-4-2-10(3-5-11)22-17(23)13-8-20-16-12(15(13)21-22)6-9(18)7-14(16)19;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/h2-8,21H,1H3;2*1-7,21H
• InChIKey: OVLOYIVVDYBSOE-UHFFFAOYSA-N
• XLogP: 12.11
• TPSA: 161.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1156.97
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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?

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 (CID 158274753) 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.

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?

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 is COc1ccc(-n2[nH]c3c(cnc4c(F)cc(Br)cc43)c2=O)cc1.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?

The InChIKey is OVLOYIVVDYBSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN3O2.C16H8BrClFN3O.C16H8BrF2N3O/c1-24-11-4-2-10(3-5-11)22-17(23)13-8-20-16-12(15(13)21-22)6-9(18)7-14(16)19;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/h2-8,21H,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-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 has a molecular weight of 1156.97 g/mol, XLogP of 12.11, 4 rotatable bonds, 3 hydrogen bond donors, and 10 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 is sourced from PubChem (CID 158274753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).