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

C72H60N12O10 — CID 158960526

About 8-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-[4-(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-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-[4-(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 (PubChem CID 158960526) has the molecular formula C72H60N12O10 and a molecular weight of 1265.42 g/mol. Its IUPAC name is 8-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-[4-(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.

Molecular Properties

• Compound Name: 8-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-[4-(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
• PubChem CID: 158960526
• Molecular Formula: C72H60N12O10
• Molecular Weight: 1265.42 g/mol
• Exact Mass: 1264.53
• IUPAC Name: 8-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-[4-(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
• SMILES: [2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4ccc(CO)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(CO)cc43)c2=O)c1.[2H]C([2H])([2H])Oc1ccccc1-n1[nH]c2c(cnc3cc(C)ccc32)c1=O
• InChI: InChI=1S/2C18H15N3O3.2C18H15N3O2/c1-24-13-5-3-12(4-6-13)21-18(23)15-9-19-16-7-2-11(10-22)8-14(16)17(15)20-21;1-24-13-4-2-3-12(8-13)21-18(23)15-9-19-16-6-5-11(10-22)7-14(16)17(15)20-21;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*2-9,20,22H,10H2,1H3;2*3-10,20H,1-2H3/i2*1D3;2*2D3
• InChIKey: LNRRWUIDMSKQNY-RODYGBMVSA-N
• XLogP: 11.10
• TPSA: 280.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1265.42
LogP ≤ 5	11.10
H-Bond Donors ≤ 5	6
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-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-[4-(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?

The IUPAC name of 8-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-[4-(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 (CID 158960526) is 8-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-[4-(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.

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

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

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

The InChIKey is LNRRWUIDMSKQNY-RODYGBMVSA-N. The full InChI is InChI=1S/2C18H15N3O3.2C18H15N3O2/c1-24-13-5-3-12(4-6-13)21-18(23)15-9-19-16-7-2-11(10-22)8-14(16)17(15)20-21;1-24-13-4-2-3-12(8-13)21-18(23)15-9-19-16-6-5-11(10-22)7-14(16)17(15)20-21;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*2-9,20,22H,10H2,1H3;2*3-10,20H,1-2H3/i2*1D3;2*2D3.

What are the key properties of 8-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-[4-(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-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-[4-(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 has a molecular weight of 1265.42 g/mol, XLogP of 11.10, 14 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-[4-(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 is sourced from PubChem (CID 158960526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).