2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C28H19ClN4O — CID 134307526

About 2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307526) has the molecular formula C28H19ClN4O and a molecular weight of 462.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 134307526
• Molecular Formula: C28H19ClN4O
• Molecular Weight: 462.94 g/mol
• Exact Mass: 462.12
• IUPAC Name: 2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: Cc1nc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1
• InChI: InChI=1S/C28H19ClN4O/c1-17-24(21-11-14-23-20(16-21)8-5-15-30-23)28(34)33-27(31-17)25(18-6-3-2-4-7-18)26(32-33)19-9-12-22(29)13-10-19/h2-16,32H,1H3
• InChIKey: MCGVALHHXZSXIG-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.94
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307526) is 2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1.

What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is MCGVALHHXZSXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClN4O/c1-17-24(21-11-14-23-20(16-21)8-5-15-30-23)28(34)33-27(31-17)25(18-6-3-2-4-7-18)26(32-33)19-9-12-22(29)13-10-19/h2-16,32H,1H3.

What are the key properties of 2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 462.94 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).