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

C88H69Br2N15O10 — CID 158268778

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

7-bromo-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 158268778) has the molecular formula C88H69Br2N15O10 and a molecular weight of 1665.48 g/mol. Its IUPAC name is 7-bromo-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 7-bromo-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 158268778
• Molecular Formula: C88H69Br2N15O10
• Molecular Weight: 1665.48 g/mol
• Exact Mass: 1662.43
• IUPAC Name: 7-bromo-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: COc1ccc(-n2[nH]c3c(cnc4c(C)c(CO)ccc43)c2=O)cc1.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3)[nH]c12.[2H]C([2H])([2H])Oc1cccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)c1.[2H]C([2H])([2H])Oc1ccccc1-n1[nH]c2c(cnc3cc(Br)ccc32)c1=O.[2H]C([2H])([2H])Oc1ccccc1-n1[nH]c2c(cnc3ccc(C)cc32)c1=O
• InChI: InChI=1S/C19H17N3O3.C18H15N3O2.2C17H12BrN3O2.C17H13N3O/c1-11-12(10-23)3-8-15-17(11)20-9-16-18(15)21-22(19(16)24)13-4-6-14(25-2)7-5-13;1-11-7-8-14-12(9-11)17-13(10-19-14)18(22)21(20-17)15-5-3-4-6-16(15)23-2;1-23-12-4-2-3-11(8-12)21-17(22)14-9-19-15-7-10(18)5-6-13(15)16(14)20-21;1-23-15-5-3-2-4-14(15)21-17(22)12-9-19-13-8-10(18)6-7-11(13)16(12)20-21;1-11-7-8-13-15(9-11)18-10-14-16(13)19-20(17(14)21)12-5-3-2-4-6-12/h3-9,21,23H,10H2,1-2H3;3-10,20H,1-2H3;2*2-9,20H,1H3;2-10,19H,1H3/i;2D3;2*1D3
• InChIKey: WDXDODQLENQDDF-FDBOTBDISA-N
• XLogP: 16.31
• TPSA: 310.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1665.48
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

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

The IUPAC name of 7-bromo-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one (CID 158268778) is 7-bromo-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one.

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

The canonical SMILES for 7-bromo-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4c(C)c(CO)ccc43)c2=O)cc1.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3)[nH]c12.[2H]C([2H])([2H])Oc1cccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)c1.[2H]C([2H])([2H])Oc1ccccc1-n1[nH]c2c(cnc3cc(Br)ccc32)c1=O.[2H]C([2H])([2H])Oc1ccccc1-n1[nH]c2c(cnc3ccc(C)cc32)c1=O.

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

The InChIKey is WDXDODQLENQDDF-FDBOTBDISA-N. The full InChI is InChI=1S/C19H17N3O3.C18H15N3O2.2C17H12BrN3O2.C17H13N3O/c1-11-12(10-23)3-8-15-17(11)20-9-16-18(15)21-22(19(16)24)13-4-6-14(25-2)7-5-13;1-11-7-8-14-12(9-11)17-13(10-19-14)18(22)21(20-17)15-5-3-4-6-16(15)23-2;1-23-12-4-2-3-11(8-12)21-17(22)14-9-19-15-7-10(18)5-6-13(15)16(14)20-21;1-23-15-5-3-2-4-14(15)21-17(22)12-9-19-13-8-10(18)6-7-11(13)16(12)20-21;1-11-7-8-13-15(9-11)18-10-14-16(13)19-20(17(14)21)12-5-3-2-4-6-12/h3-9,21,23H,10H2,1-2H3;3-10,20H,1-2H3;2*2-9,20H,1H3;2-10,19H,1H3/i;2D3;2*1D3;.

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

7-bromo-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1665.48 g/mol, XLogP of 16.31, 13 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 158268778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).