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

C72H60N12O8 — CID 160957083

About 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;bis(7-methyl-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;bis(7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one) (PubChem CID 160957083) has the molecular formula C72H60N12O8 and a molecular weight of 1233.42 g/mol. Its IUPAC name is 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;bis(7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one).

Molecular Properties

• Compound Name: 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;bis(7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one)
• PubChem CID: 160957083
• Molecular Formula: C72H60N12O8
• Molecular Weight: 1233.42 g/mol
• Exact Mass: 1232.54
• IUPAC Name: 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;bis(7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one)
• SMILES: [2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.[2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.[2H]C([2H])([2H])Oc1cccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)c1.[2H]C([2H])([2H])Oc1ccccc1-n1[nH]c2c(cnc3cc(C)ccc32)c1=O
• InChI: InChI=1S/4C18H15N3O2/c2*1-11-3-8-14-16(9-11)19-10-15-17(14)20-21(18(15)22)12-4-6-13(23-2)7-5-12;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/h4*3-10,20H,1-2H3/i4*2D3
• InChIKey: NYQXVUUIEZXFHW-FJNXCIQESA-N
• XLogP: 12.74
• TPSA: 239.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1233.42
LogP ≤ 5	12.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 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;bis(7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one) (CID 160957083) is 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;bis(7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one).

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

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

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

The InChIKey is NYQXVUUIEZXFHW-FJNXCIQESA-N. The full InChI is InChI=1S/4C18H15N3O2/c2*1-11-3-8-14-16(9-11)19-10-15-17(14)20-21(18(15)22)12-4-6-13(23-2)7-5-12;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/h4*3-10,20H,1-2H3/i4*2D3.

What are the key properties of 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;bis(7-methyl-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;bis(7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one) has a molecular weight of 1233.42 g/mol, XLogP of 12.74, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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;bis(7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one) is sourced from PubChem (CID 160957083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).