7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C86H65BrCl2N16O12 — CID 160671060

About 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 160671060) has the molecular formula C86H65BrCl2N16O12 and a molecular weight of 1665.38 g/mol. Its IUPAC name is 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 160671060
• Molecular Formula: C86H65BrCl2N16O12
• Molecular Weight: 1665.38 g/mol
• Exact Mass: 1662.35
• IUPAC Name: 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: COc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4cc(CO)ncc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1.COc1cccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)c1
• InChI: InChI=1S/C18H15N3O3.C17H12BrN3O2.2C17H12ClN3O2.C17H14N4O3/c1-24-13-5-3-12(4-6-13)21-18(23)15-9-19-16-8-11(10-22)2-7-14(16)17(15)20-21;1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-8-10(18)2-7-13(15)16(14)20-21;1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21;1-23-12-4-2-3-11(8-12)21-17(22)14-9-19-15-6-5-10(18)7-13(15)16(14)20-21;1-24-12-4-2-11(3-5-12)21-17(23)14-8-19-15-6-10(9-22)18-7-13(15)16(14)20-21/h2-9,20,22H,10H2,1H3;3*2-9,20H,1H3;2-8,20,22H,9H2,1H3
• InChIKey: GZKXQYIDWTXRHN-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 352.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1665.38
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 160671060) is 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

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

The canonical SMILES for 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4cc(CO)ncc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1.COc1cccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)c1.

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

The InChIKey is GZKXQYIDWTXRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3.C17H12BrN3O2.2C17H12ClN3O2.C17H14N4O3/c1-24-13-5-3-12(4-6-13)21-18(23)15-9-19-16-8-11(10-22)2-7-14(16)17(15)20-21;1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-8-10(18)2-7-13(15)16(14)20-21;1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21;1-23-12-4-2-3-11(8-12)21-17(22)14-9-19-15-6-5-10(18)7-13(15)16(14)20-21;1-24-12-4-2-11(3-5-12)21-17(23)14-8-19-15-6-10(9-22)18-7-13(15)16(14)20-21/h2-9,20,22H,10H2,1H3;3*2-9,20H,1H3;2-8,20,22H,9H2,1H3.

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

7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1665.38 g/mol, XLogP of 14.83, 12 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 160671060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).