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

C61H39Cl3N16O4 — CID 161453377

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

8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-pyrazin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 161453377) has the molecular formula C61H39Cl3N16O4 and a molecular weight of 1166.45 g/mol. Its IUPAC name is 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-pyrazin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-pyrazin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 161453377
• Molecular Formula: C61H39Cl3N16O4
• Molecular Weight: 1166.45 g/mol
• Exact Mass: 1164.24
• IUPAC Name: 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-pyrazin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: Cc1ccc2c(c1)ncc1c(=O)n(-c3cnccn3)[nH]c12.O=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccccn1.O=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccncc1
• InChI: InChI=1S/C16H10ClN3O.2C15H9ClN4O.C15H11N5O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11;16-9-1-2-13-11(7-9)14-12(8-18-13)15(21)20(19-14)10-3-5-17-6-4-10;16-9-4-5-12-10(7-9)14-11(8-18-12)15(21)20(19-14)13-3-1-2-6-17-13;1-9-2-3-10-12(6-9)18-7-11-14(10)19-20(15(11)21)13-8-16-4-5-17-13/h1-9,19H;2*1-8,19H;2-8,19H,1H3
• InChIKey: UVAYNUSAKAURAX-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 254.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1166.45
LogP ≤ 5	11.32
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 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-pyrazin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-pyrazin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 161453377) is 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-pyrazin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one.

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

The canonical SMILES for 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-pyrazin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc2c(c1)ncc1c(=O)n(-c3cnccn3)[nH]c12.O=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccccn1.O=c1c2cnc3ccc(Cl)cc3c2[nH]n1-c1ccncc1.

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

The InChIKey is UVAYNUSAKAURAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O.2C15H9ClN4O.C15H11N5O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11;16-9-1-2-13-11(7-9)14-12(8-18-13)15(21)20(19-14)10-3-5-17-6-4-10;16-9-4-5-12-10(7-9)14-11(8-18-12)15(21)20(19-14)13-3-1-2-6-17-13;1-9-2-3-10-12(6-9)18-7-11-14(10)19-20(15(11)21)13-8-16-4-5-17-13/h1-9,19H;2*1-8,19H;2-8,19H,1H3.

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

8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-pyrazin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1166.45 g/mol, XLogP of 11.32, 4 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-pyrazin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 161453377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).