8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C52H41ClN10O4 — CID 159465236

About 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 159465236) has the molecular formula C52H41ClN10O4 and a molecular weight of 905.42 g/mol. Its IUPAC name is 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 159465236
• Molecular Formula: C52H41ClN10O4
• Molecular Weight: 905.42 g/mol
• Exact Mass: 904.30
• IUPAC Name: 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: Cc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1.Cc1ccccc1-n1[nH]c2c(cnc3ccc(Cl)cc32)c1=O
• InChI: InChI=1S/C18H15N3O.C17H12ClN3O.C17H14N4O2/c1-11-3-6-13(7-4-11)21-18(22)15-10-19-16-9-12(2)5-8-14(16)17(15)20-21;1-10-4-2-3-5-15(10)21-17(22)13-9-19-14-7-6-11(18)8-12(14)16(13)20-21;1-10-2-4-12(7-18-10)21-17(23)14-8-19-15-6-11(9-22)3-5-13(15)16(14)20-21/h3-10,20H,1-2H3;2-9,20H,1H3;2-8,20,22H,9H2,1H3
• InChIKey: NGDVKLKCCORSGW-UHFFFAOYSA-N
• XLogP: 9.38
• TPSA: 185.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	905.42
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 159465236) is 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

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

The canonical SMILES for 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1.Cc1ccccc1-n1[nH]c2c(cnc3ccc(Cl)cc32)c1=O.

What is the InChIKey of 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The InChIKey is NGDVKLKCCORSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O.C17H12ClN3O.C17H14N4O2/c1-11-3-6-13(7-4-11)21-18(22)15-10-19-16-9-12(2)5-8-14(16)17(15)20-21;1-10-4-2-3-5-15(10)21-17(22)13-9-19-14-7-6-11(18)8-12(14)16(13)20-21;1-10-2-4-12(7-18-10)21-17(23)14-8-19-15-6-11(9-22)3-5-13(15)16(14)20-21/h3-10,20H,1-2H3;2-9,20H,1H3;2-8,20,22H,9H2,1H3.

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

8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 905.42 g/mol, XLogP of 9.38, 4 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 159465236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).