2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C52H39ClN10O6 — CID 159024853

About 2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 159024853) has the molecular formula C52H39ClN10O6 and a molecular weight of 935.40 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 159024853
• Molecular Formula: C52H39ClN10O6
• Molecular Weight: 935.40 g/mol
• Exact Mass: 934.27
• IUPAC Name: 2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: COc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc(Cl)cc3)[nH]c12.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc([N+](=O)[O-])cc3)[nH]c12
• InChI: InChI=1S/C18H15N3O2.C17H12ClN3O.C17H12N4O3/c1-11-3-8-14-16(9-11)19-10-15-17(14)20-21(18(15)22)12-4-6-13(23-2)7-5-12;1-10-2-7-13-15(8-10)19-9-14-16(13)20-21(17(14)22)12-5-3-11(18)4-6-12;1-10-2-7-13-15(8-10)18-9-14-16(13)19-20(17(14)22)11-3-5-12(6-4-11)21(23)24/h3-10,20H,1-2H3;2-9,20H,1H3;2-9,19H,1H3
• InChIKey: KZPXRKSGAVXTLI-UHFFFAOYSA-N
• XLogP: 10.10
• TPSA: 204.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	935.40
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 159024853) is 2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

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

The canonical SMILES for 2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc(Cl)cc3)[nH]c12.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc([N+](=O)[O-])cc3)[nH]c12.

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

The InChIKey is KZPXRKSGAVXTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2.C17H12ClN3O.C17H12N4O3/c1-11-3-8-14-16(9-11)19-10-15-17(14)20-21(18(15)22)12-4-6-13(23-2)7-5-12;1-10-2-7-13-15(8-10)19-9-14-16(13)20-21(17(14)22)12-5-3-11(18)4-6-12;1-10-2-7-13-15(8-10)18-9-14-16(13)19-20(17(14)22)11-3-5-12(6-4-11)21(23)24/h3-10,20H,1-2H3;2-9,20H,1H3;2-9,19H,1H3.

What are the key properties of 2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?

2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 935.40 g/mol, XLogP of 10.10, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 159024853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).