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

C32H22BrClN8O2 — CID 159722126

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

7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 159722126) has the molecular formula C32H22BrClN8O2 and a molecular weight of 665.94 g/mol. Its IUPAC name is 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 159722126
• Molecular Formula: C32H22BrClN8O2
• Molecular Weight: 665.94 g/mol
• Exact Mass: 664.07
• IUPAC Name: 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: Cc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1.Cc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cn1
• InChI: InChI=1S/C16H11BrN4O.C16H11ClN4O/c1-9-2-4-11(7-18-9)21-16(22)13-8-19-14-6-10(17)3-5-12(14)15(13)20-21;1-9-2-4-11(7-18-9)21-16(22)13-8-19-14-5-3-10(17)6-12(14)15(13)20-21/h2*2-8,20H,1H3
• InChIKey: NEIIWZUETBDJQM-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 127.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.94
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 159722126) is 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

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

The canonical SMILES for 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1.Cc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cn1.

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

The InChIKey is NEIIWZUETBDJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O.C16H11ClN4O/c1-9-2-4-11(7-18-9)21-16(22)13-8-19-14-6-10(17)3-5-12(14)15(13)20-21;1-9-2-4-11(7-18-9)21-16(22)13-8-19-14-5-3-10(17)6-12(14)15(13)20-21/h2*2-8,20H,1H3.

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

7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 665.94 g/mol, XLogP of 6.56, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 159722126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).