7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-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-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C61H38Br3ClN16O5 — CID 158220233

About 7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-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-methoxy-4-pyridinyl)-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-3-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-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 158220233) has the molecular formula C61H38Br3ClN16O5 and a molecular weight of 1350.25 g/mol. Its IUPAC name is 7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-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-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-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-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 158220233
• Molecular Formula: C61H38Br3ClN16O5
• Molecular Weight: 1350.25 g/mol
• Exact Mass: 1346.04
• IUPAC Name: 7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-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-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: COc1cc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)ccn1.O=c1c2cnc3cc(Br)ccc3c2[nH]n1-c1ccccn1.O=c1c2cnc3cc(Br)ccc3c2[nH]n1-c1cccnc1.O=c1c2cnc3cc(Br)ccc3c2[nH]n1-c1ccncc1
• InChI: InChI=1S/C16H11ClN4O2.3C15H9BrN4O/c1-23-14-7-10(4-5-18-14)21-16(22)12-8-19-13-3-2-9(17)6-11(13)15(12)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;16-9-3-4-11-13(6-9)18-8-12-14(11)19-20(15(12)21)10-2-1-5-17-7-10;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/h2-8,20H,1H3;3*1-8,19H
• InChIKey: INRMWAZHBPRHCM-UHFFFAOYSA-N
• XLogP: 12.00
• TPSA: 263.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1350.25
LogP ≤ 5	12.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-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-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-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-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 158220233) is 7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-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-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

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

The canonical SMILES for 7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-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-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is COc1cc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)ccn1.O=c1c2cnc3cc(Br)ccc3c2[nH]n1-c1ccccn1.O=c1c2cnc3cc(Br)ccc3c2[nH]n1-c1cccnc1.O=c1c2cnc3cc(Br)ccc3c2[nH]n1-c1ccncc1.

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

The InChIKey is INRMWAZHBPRHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2.3C15H9BrN4O/c1-23-14-7-10(4-5-18-14)21-16(22)12-8-19-13-3-2-9(17)6-11(13)15(12)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;16-9-3-4-11-13(6-9)18-8-12-14(11)19-20(15(12)21)10-2-1-5-17-7-10;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/h2-8,20H,1H3;3*1-8,19H.

What are the key properties of 7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-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-methoxy-4-pyridinyl)-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-3-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-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1350.25 g/mol, XLogP of 12.00, 5 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-pyridin-3-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-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 158220233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).