10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

C₁₁₄H₈₆Cl₇FN₁₄O₁₂ — CID 159027959

About 10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (PubChem CID 159027959) has the molecular formula C₁₁₄H₈₆Cl₇FN₁₄O₁₂ and a molecular weight of 2111.20 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.

Molecular Properties

• Compound Name: 10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
• PubChem CID: 159027959
• Molecular Formula: C₁₁₄H₈₆Cl₇FN₁₄O₁₂
• Molecular Weight: 2111.20 g/mol
• Exact Mass: 2106.44
• IUPAC Name: 10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
• SMILES: O=C(/C=C/c1ccoc1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1ccnc(Cl)c1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1ccncc1Cl)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1ccno1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C1c2ccccc2CC2(c3ccc(Cl)cc3)N1CCN2C(=O)c1ncccc1F
• InChI: InChI=1S/C24H19ClN2O3.2C23H17Cl2N3O2.C23H17ClFN3O2.C21H16ClN3O3/c25-20-8-6-19(7-9-20)24-15-18-3-1-2-4-21(18)23(29)27(24)13-12-26(24)22(28)10-5-17-11-14-30-16-17;24-18-7-5-17(6-8-18)23-14-16-3-1-2-4-19(16)22(30)28(23)12-11-27(23)21(29)15-9-10-26-20(25)13-15;24-17-7-5-16(6-8-17)23-13-15-3-1-2-4-18(15)21(29)27(23)11-12-28(23)22(30)19-9-10-26-14-20(19)25;24-17-9-7-16(8-10-17)23-14-15-4-1-2-5-18(15)21(29)27(23)12-13-28(23)22(30)20-19(25)6-3-11-26-20;22-16-7-5-15(6-8-16)21-13-14-3-1-2-4-17(14)19(26)24(21)11-12-25(21)20(27)18-9-10-23-28-18/h1-11,14,16H,12-13,15H2;1-10,13H,11-12,14H2;1-10,14H,11-13H2;1-11H,12-14H2;1-10H,11-13H2/b10-5+
• InChIKey: JUMZIXIIOPWFQQ-UHYPDGJZSA-N
• XLogP: 20.35
• TPSA: 280.94 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2111.20
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

The IUPAC name of 10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (CID 159027959) is 10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.

What is the SMILES notation for 10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

The canonical SMILES for 10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is O=C(/C=C/c1ccoc1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1ccnc(Cl)c1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1ccncc1Cl)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1ccno1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C1c2ccccc2CC2(c3ccc(Cl)cc3)N1CCN2C(=O)c1ncccc1F.

What is the InChIKey of 10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

The InChIKey is JUMZIXIIOPWFQQ-UHYPDGJZSA-N. The full InChI is InChI=1S/C24H19ClN2O3.2C23H17Cl2N3O2.C23H17ClFN3O2.C21H16ClN3O3/c25-20-8-6-19(7-9-20)24-15-18-3-1-2-4-21(18)23(29)27(24)13-12-26(24)22(28)10-5-17-11-14-30-16-17;24-18-7-5-17(6-8-18)23-14-16-3-1-2-4-19(16)22(30)28(23)12-11-27(23)21(29)15-9-10-26-20(25)13-15;24-17-7-5-16(6-8-17)23-13-15-3-1-2-4-18(15)21(29)27(23)11-12-28(23)22(30)19-9-10-26-14-20(19)25;24-17-9-7-16(8-10-17)23-14-15-4-1-2-5-18(15)21(29)27(23)12-13-28(23)22(30)20-19(25)6-3-11-26-20;22-16-7-5-15(6-8-16)21-13-14-3-1-2-4-17(14)19(26)24(21)11-12-25(21)20(27)18-9-10-23-28-18/h1-11,14,16H,12-13,15H2;1-10,13H,11-12,14H2;1-10,14H,11-13H2;1-11H,12-14H2;1-10H,11-13H2/b10-5+;;;;.

What are the key properties of 10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one has a molecular weight of 2111.20 g/mol, XLogP of 20.35, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 10a-(4-chlorophenyl)-1-(2-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-chloropyridine-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(3-fluoropyridine-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[(E)-3-(furan-3-yl)prop-2-enoyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(1,2-oxazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is sourced from PubChem (CID 159027959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159027959 — identifiers, structure, computed properties (public domain)

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