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

C49H36BrClN12O7 — CID 162245590

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

7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 162245590) has the molecular formula C49H36BrClN12O7 and a molecular weight of 1020.26 g/mol. Its IUPAC name is 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 162245590
• Molecular Formula: C49H36BrClN12O7
• Molecular Weight: 1020.26 g/mol
• Exact Mass: 1018.17
• IUPAC Name: 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: COc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1.COc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1.COc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cn1
• InChI: InChI=1S/C17H14N4O3.C16H11BrN4O2.C16H11ClN4O2/c1-24-15-5-3-11(7-19-15)21-17(23)13-8-18-14-6-10(9-22)2-4-12(14)16(13)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-6-9(17)2-4-11(13)15(12)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-4-2-9(17)6-11(13)15(12)20-21/h2-8,20,22H,9H2,1H3;2*2-8,20H,1H3
• InChIKey: RNNMEXAAAUXLDB-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 238.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1020.26
LogP ≤ 5	7.72
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-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 162245590) is 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

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

The canonical SMILES for 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1.COc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1.COc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cn1.

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

The InChIKey is RNNMEXAAAUXLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3.C16H11BrN4O2.C16H11ClN4O2/c1-24-15-5-3-11(7-19-15)21-17(23)13-8-18-14-6-10(9-22)2-4-12(14)16(13)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-6-9(17)2-4-11(13)15(12)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-4-2-9(17)6-11(13)15(12)20-21/h2-8,20,22H,9H2,1H3;2*2-8,20H,1H3.

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

7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1020.26 g/mol, XLogP of 7.72, 7 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 162245590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).