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

C62H39Br3ClN15O4 — CID 160781962

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

7-bromo-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 160781962) has the molecular formula C62H39Br3ClN15O4 and a molecular weight of 1333.26 g/mol. Its IUPAC name is 7-bromo-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 7-bromo-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 160781962
• Molecular Formula: C62H39Br3ClN15O4
• Molecular Weight: 1333.26 g/mol
• Exact Mass: 1329.05
• IUPAC Name: 7-bromo-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: Cc1cc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)ccn1.O=c1c2cnc3cc(Br)ccc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(Br)ccc3c2[nH]n1-c1ccccn1.O=c1c2cnc3cc(Br)ccc3c2[nH]n1-c1ccncc1
• InChI: InChI=1S/C16H10BrN3O.C16H11ClN4O.2C15H9BrN4O/c17-10-6-7-12-14(8-10)18-9-13-15(12)19-20(16(13)21)11-4-2-1-3-5-11;1-9-6-11(4-5-18-9)21-16(22)13-8-19-14-3-2-10(17)7-12(14)15(13)20-21;16-9-1-2-11-13(7-9)18-8-12-14(11)19-20(15(12)21)10-3-5-17-6-4-10;16-9-4-5-10-12(7-9)18-8-11-14(10)19-20(15(11)21)13-3-1-2-6-17-13/h1-9,19H;2-8,20H,1H3;2*1-8,19H
• InChIKey: MCJLQIYKZYNJAK-UHFFFAOYSA-N
• XLogP: 12.90
• TPSA: 241.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 4
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1333.26
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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

The IUPAC name of 7-bromo-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 160781962) is 7-bromo-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

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

The canonical SMILES for 7-bromo-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1cc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)ccn1.O=c1c2cnc3cc(Br)ccc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(Br)ccc3c2[nH]n1-c1ccccn1.O=c1c2cnc3cc(Br)ccc3c2[nH]n1-c1ccncc1.

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

The InChIKey is MCJLQIYKZYNJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O.C16H11ClN4O.2C15H9BrN4O/c17-10-6-7-12-14(8-10)18-9-13-15(12)19-20(16(13)21)11-4-2-1-3-5-11;1-9-6-11(4-5-18-9)21-16(22)13-8-19-14-3-2-10(17)7-12(14)15(13)20-21;16-9-1-2-11-13(7-9)18-8-12-14(11)19-20(15(12)21)10-3-5-17-6-4-10;16-9-4-5-10-12(7-9)18-8-11-14(10)19-20(15(11)21)13-3-1-2-6-17-13/h1-9,19H;2-8,20H,1H3;2*1-8,19H.

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

7-bromo-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1333.26 g/mol, XLogP of 12.90, 4 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 160781962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).