10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide

C78H64Cl3F2N9O8 — CID 158116516

About 10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide

10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide (PubChem CID 158116516) has the molecular formula C78H64Cl3F2N9O8 and a molecular weight of 1399.78 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide.

Molecular Properties

• Compound Name: 10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide
• PubChem CID: 158116516
• Molecular Formula: C78H64Cl3F2N9O8
• Molecular Weight: 1399.78 g/mol
• Exact Mass: 1397.39
• IUPAC Name: 10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide
• SMILES: O=C(NCCc1ccccc1)N1CCN2C(=O)c3ccc(F)cc3CC12c1ccc(Cl)cc1.O=C(NCc1ccccc1)N1CCN2C(=O)c3ccc(F)cc3CC12c1ccc(Cl)cc1.O=C(c1ccc(Oc2cccnc2)o1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1
• InChI: InChI=1S/C27H20ClN3O4.C26H23ClFN3O2.C25H21ClFN3O2/c28-20-9-7-19(8-10-20)27-16-18-4-1-2-6-22(18)25(32)30(27)14-15-31(27)26(33)23-11-12-24(35-23)34-21-5-3-13-29-17-21;27-21-8-6-20(7-9-21)26-17-19-16-22(28)10-11-23(19)24(32)30(26)14-15-31(26)25(33)29-13-12-18-4-2-1-3-5-18;26-20-8-6-19(7-9-20)25-15-18-14-21(27)10-11-22(18)23(31)29(25)12-13-30(25)24(32)28-16-17-4-2-1-3-5-17/h1-13,17H,14-16H2;1-11,16H,12-15,17H2,(H,29,33);1-11,14H,12-13,15-16H2,(H,28,32)
• InChIKey: FRBPEPWUTLVBPG-UHFFFAOYSA-N
• XLogP: 14.28
• TPSA: 181.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1399.78
LogP ≤ 5	14.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide?

The IUPAC name of 10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide (CID 158116516) is 10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide.

What is the SMILES notation for 10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide?

The canonical SMILES for 10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide is O=C(NCCc1ccccc1)N1CCN2C(=O)c3ccc(F)cc3CC12c1ccc(Cl)cc1.O=C(NCc1ccccc1)N1CCN2C(=O)c3ccc(F)cc3CC12c1ccc(Cl)cc1.O=C(c1ccc(Oc2cccnc2)o1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.

What is the InChIKey of 10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide?

The InChIKey is FRBPEPWUTLVBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O4.C26H23ClFN3O2.C25H21ClFN3O2/c28-20-9-7-19(8-10-20)27-16-18-4-1-2-6-22(18)25(32)30(27)14-15-31(27)26(33)23-11-12-24(35-23)34-21-5-3-13-29-17-21;27-21-8-6-20(7-9-21)26-17-19-16-22(28)10-11-23(19)24(32)30(26)14-15-31(26)25(33)29-13-12-18-4-2-1-3-5-18;26-20-8-6-19(7-9-20)25-15-18-14-21(27)10-11-22(18)23(31)29(25)12-13-30(25)24(32)28-16-17-4-2-1-3-5-17/h1-13,17H,14-16H2;1-11,16H,12-15,17H2,(H,29,33);1-11,14H,12-13,15-16H2,(H,28,32).

What are the key properties of 10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide?

10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide has a molecular weight of 1399.78 g/mol, XLogP of 14.28, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10a-(4-chlorophenyl)-8-fluoro-5-oxo-N-(2-phenylethyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide;10a-(4-chlorophenyl)-1-(5-pyridin-3-yloxyfuran-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;N-benzyl-10a-(4-chlorophenyl)-8-fluoro-5-oxo-3,10-dihydro-2H-imidazo[1,2-b]isoquinoline-1-carboxamide is sourced from PubChem (CID 158116516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).