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

C90H75N15O11 — CID 159272501

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

7-(hydroxymethyl)-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 159272501) has the molecular formula C90H75N15O11 and a molecular weight of 1557.78 g/mol. Its IUPAC name is 7-(hydroxymethyl)-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 7-(hydroxymethyl)-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 159272501
• Molecular Formula: C90H75N15O11
• Molecular Weight: 1557.78 g/mol
• Exact Mass: 1556.67
• IUPAC Name: 7-(hydroxymethyl)-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: [2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4ccc(C)cc43)c2=O)cc1.[2H]C([2H])([2H])Oc1cccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)c1.[2H]C([2H])([2H])Oc1cccc(-n2[nH]c3c(cnc4ccc(C)cc43)c2=O)c1.[2H]C([2H])([2H])Oc1ccccc1-n1[nH]c2c(cnc3cc(C)ccc32)c1=O.[2H]C([2H])([2H])Oc1ccccc1-n1[nH]c2c(cnc3cc(CO)ccc32)c1=O
• InChI: InChI=1S/C18H15N3O3.4C18H15N3O2/c1-24-16-5-3-2-4-15(16)21-18(23)13-9-19-14-8-11(10-22)6-7-12(14)17(13)20-21;1-11-3-8-16-14(9-11)17-15(10-19-16)18(22)21(20-17)12-4-6-13(23-2)7-5-12;1-11-6-7-16-14(8-11)17-15(10-19-16)18(22)21(20-17)12-4-3-5-13(9-12)23-2;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;1-11-7-8-12-14(9-11)19-10-13-17(12)20-21(18(13)22)15-5-3-4-6-16(15)23-2/h2-9,20,22H,10H2,1H3;4*3-10,20H,1-2H3/i1D3;4*2D3
• InChIKey: XGRLXEBKMRPKCW-IOCCMOKQSA-N
• XLogP: 15.10
• TPSA: 319.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1557.78
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 7-(hydroxymethyl)-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one (CID 159272501) is 7-(hydroxymethyl)-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one.

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

The canonical SMILES for 7-(hydroxymethyl)-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one is [2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4ccc(C)cc43)c2=O)cc1.[2H]C([2H])([2H])Oc1cccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)c1.[2H]C([2H])([2H])Oc1cccc(-n2[nH]c3c(cnc4ccc(C)cc43)c2=O)c1.[2H]C([2H])([2H])Oc1ccccc1-n1[nH]c2c(cnc3cc(C)ccc32)c1=O.[2H]C([2H])([2H])Oc1ccccc1-n1[nH]c2c(cnc3cc(CO)ccc32)c1=O.

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

The InChIKey is XGRLXEBKMRPKCW-IOCCMOKQSA-N. The full InChI is InChI=1S/C18H15N3O3.4C18H15N3O2/c1-24-16-5-3-2-4-15(16)21-18(23)13-9-19-14-8-11(10-22)6-7-12(14)17(13)20-21;1-11-3-8-16-14(9-11)17-15(10-19-16)18(22)21(20-17)12-4-6-13(23-2)7-5-12;1-11-6-7-16-14(8-11)17-15(10-19-16)18(22)21(20-17)12-4-3-5-13(9-12)23-2;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;1-11-7-8-12-14(9-11)19-10-13-17(12)20-21(18(13)22)15-5-3-4-6-16(15)23-2/h2-9,20,22H,10H2,1H3;4*3-10,20H,1-2H3/i1D3;4*2D3.

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

7-(hydroxymethyl)-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1557.78 g/mol, XLogP of 15.10, 16 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(hydroxymethyl)-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 159272501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).