10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

C113H81Cl5F7N13O12 — CID 162205033

About 10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (PubChem CID 162205033) has the molecular formula C113H81Cl5F7N13O12 and a molecular weight of 2123.22 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.

Molecular Properties

• Compound Name: 10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
• PubChem CID: 162205033
• Molecular Formula: C113H81Cl5F7N13O12
• Molecular Weight: 2123.22 g/mol
• Exact Mass: 2119.45
• IUPAC Name: 10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
• SMILES: O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccc(F)cc3CC12c1ccc(Cl)cc1.O=C(c1ccc(F)nc1)N1CCN2C(=O)c3ccc(F)cc3CC12c1ccc(Cl)cc1.O=C(c1cccnc1)N1CCN2C(=O)c3ccc(F)cc3CC12c1ccc(Cl)cc1.O=C(c1ccoc1)N1CCN2C(=O)c3ccc(F)cc3CC12c1ccc(Cl)cc1.O=C(c1ccon1)N1CCN2C(=O)c3cccc(F)c3CC12c1ccc(Cl)cc1
• InChI: InChI=1S/C24H17ClF2N2O2.C23H16ClF2N3O2.C23H17ClFN3O2.C22H16ClFN2O3.C21H15ClFN3O3/c25-18-5-3-17(4-6-18)24-14-16-13-20(27)9-10-21(16)23(31)29(24)12-11-28(24)22(30)15-1-7-19(26)8-2-15;24-17-4-2-16(3-5-17)23-12-15-11-18(25)6-7-19(15)22(31)29(23)10-9-28(23)21(30)14-1-8-20(26)27-13-14;24-18-5-3-17(4-6-18)23-13-16-12-19(25)7-8-20(16)22(30)28(23)11-10-27(23)21(29)15-2-1-9-26-14-15;23-17-3-1-16(2-4-17)22-12-15-11-18(24)5-6-19(15)21(28)26(22)9-8-25(22)20(27)14-7-10-29-13-14;22-14-6-4-13(5-7-14)21-12-16-15(2-1-3-17(16)23)19(27)25(21)9-10-26(21)20(28)18-8-11-29-24-18/h1-10,13H,11-12,14H2;1-8,11,13H,9-10,12H2;1-9,12,14H,10-11,13H2;1-7,10-11,13H,8-9,12H2;1-8,11H,9-10,12H2
• InChIKey: ZSBRHUVVXJJIPK-UHFFFAOYSA-N
• XLogP: 20.08
• TPSA: 268.05 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.22
LogP ≤ 5	20.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

The IUPAC name of 10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (CID 162205033) is 10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.

What is the SMILES notation for 10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

The canonical SMILES for 10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is O=C(c1ccc(F)cc1)N1CCN2C(=O)c3ccc(F)cc3CC12c1ccc(Cl)cc1.O=C(c1ccc(F)nc1)N1CCN2C(=O)c3ccc(F)cc3CC12c1ccc(Cl)cc1.O=C(c1cccnc1)N1CCN2C(=O)c3ccc(F)cc3CC12c1ccc(Cl)cc1.O=C(c1ccoc1)N1CCN2C(=O)c3ccc(F)cc3CC12c1ccc(Cl)cc1.O=C(c1ccon1)N1CCN2C(=O)c3cccc(F)c3CC12c1ccc(Cl)cc1.

What is the InChIKey of 10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

The InChIKey is ZSBRHUVVXJJIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N2O2.C23H16ClF2N3O2.C23H17ClFN3O2.C22H16ClFN2O3.C21H15ClFN3O3/c25-18-5-3-17(4-6-18)24-14-16-13-20(27)9-10-21(16)23(31)29(24)12-11-28(24)22(30)15-1-7-19(26)8-2-15;24-17-4-2-16(3-5-17)23-12-15-11-18(25)6-7-19(15)22(31)29(23)10-9-28(23)21(30)14-1-8-20(26)27-13-14;24-18-5-3-17(4-6-18)23-13-16-12-19(25)7-8-20(16)22(30)28(23)11-10-27(23)21(29)15-2-1-9-26-14-15;23-17-3-1-16(2-4-17)22-12-15-11-18(24)5-6-19(15)21(28)26(22)9-8-25(22)20(27)14-7-10-29-13-14;22-14-6-4-13(5-7-14)21-12-16-15(2-1-3-17(16)23)19(27)25(21)9-10-26(21)20(28)18-8-11-29-24-18/h1-10,13H,11-12,14H2;1-8,11,13H,9-10,12H2;1-9,12,14H,10-11,13H2;1-7,10-11,13H,8-9,12H2;1-8,11H,9-10,12H2.

What are the key properties of 10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one has a molecular weight of 2123.22 g/mol, XLogP of 20.08, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 10a-(4-chlorophenyl)-8-fluoro-1-(4-fluorobenzoyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(6-fluoropyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(furan-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-9-fluoro-1-(1,2-oxazole-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-8-fluoro-1-(pyridine-3-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is sourced from PubChem (CID 162205033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).