10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

C114H89Cl5F3N17O11S3 — CID 158329177

About 10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one

10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (PubChem CID 158329177) has the molecular formula C114H89Cl5F3N17O11S3 and a molecular weight of 2203.53 g/mol. Its IUPAC name is 10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.

Molecular Properties

• Compound Name: 10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
• PubChem CID: 158329177
• Molecular Formula: C114H89Cl5F3N17O11S3
• Molecular Weight: 2203.53 g/mol
• Exact Mass: 2199.45
• IUPAC Name: 10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one
• SMILES: Cc1nc(C(=O)N2CCN3C(=O)c4ccccc4CC23c2ccc(Cl)cc2)cs1.Cc1nnsc1C(=O)N1CCN2C(=O)c3ccccc3CC21c1ccc(Cl)cc1.Cn1ncc(C(=O)N2CCN3C(=O)c4ccccc4CC32c2ccc(Cl)cc2)c1C(F)(F)F.O=C(c1ccco1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1csc(-c2cccnc2)n1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1
• InChI: InChI=1S/C26H19ClN4O2S.C23H18ClF3N4O2.C22H18ClN3O2S.C22H17ClN2O3.C21H17ClN4O2S/c27-20-9-7-19(8-10-20)26-14-17-4-1-2-6-21(17)24(32)30(26)12-13-31(26)25(33)22-16-34-23(29-22)18-5-3-11-28-15-18;1-29-19(23(25,26)27)18(13-28-29)21(33)31-11-10-30-20(32)17-5-3-2-4-14(17)12-22(30,31)15-6-8-16(24)9-7-15;1-14-24-19(13-29-14)21(28)26-11-10-25-20(27)18-5-3-2-4-15(18)12-22(25,26)16-6-8-17(23)9-7-16;23-17-9-7-16(8-10-17)22-14-15-4-1-2-5-18(15)20(26)24(22)11-12-25(22)21(27)19-6-3-13-28-19;1-13-18(29-24-23-13)20(28)26-11-10-25-19(27)17-5-3-2-4-14(17)12-21(25,26)15-6-8-16(22)9-7-15/h1-11,15-16H,12-14H2;2-9,13H,10-12H2,1H3;2-9,13H,10-12H2,1H3;1-10,13H,11-12,14H2;2-9H,10-12H2,1H3
• InChIKey: GPUHJDZCMFEPCP-UHFFFAOYSA-N
• XLogP: 20.53
• TPSA: 298.51 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2203.53
LogP ≤ 5	20.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

The IUPAC name of 10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one (CID 158329177) is 10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one.

What is the SMILES notation for 10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

The canonical SMILES for 10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is Cc1nc(C(=O)N2CCN3C(=O)c4ccccc4CC23c2ccc(Cl)cc2)cs1.Cc1nnsc1C(=O)N1CCN2C(=O)c3ccccc3CC21c1ccc(Cl)cc1.Cn1ncc(C(=O)N2CCN3C(=O)c4ccccc4CC32c2ccc(Cl)cc2)c1C(F)(F)F.O=C(c1ccco1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.O=C(c1csc(-c2cccnc2)n1)N1CCN2C(=O)c3ccccc3CC12c1ccc(Cl)cc1.

What is the InChIKey of 10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

The InChIKey is GPUHJDZCMFEPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4O2S.C23H18ClF3N4O2.C22H18ClN3O2S.C22H17ClN2O3.C21H17ClN4O2S/c27-20-9-7-19(8-10-20)26-14-17-4-1-2-6-21(17)24(32)30(26)12-13-31(26)25(33)22-16-34-23(29-22)18-5-3-11-28-15-18;1-29-19(23(25,26)27)18(13-28-29)21(33)31-11-10-30-20(32)17-5-3-2-4-14(17)12-22(30,31)15-6-8-16(24)9-7-15;1-14-24-19(13-29-14)21(28)26-11-10-25-20(27)18-5-3-2-4-15(18)12-22(25,26)16-6-8-17(23)9-7-16;23-17-9-7-16(8-10-17)22-14-15-4-1-2-5-18(15)20(26)24(22)11-12-25(22)21(27)19-6-3-13-28-19;1-13-18(29-24-23-13)20(28)26-11-10-25-19(27)17-5-3-2-4-14(17)12-21(25,26)15-6-8-16(22)9-7-15/h1-11,15-16H,12-14H2;2-9,13H,10-12H2,1H3;2-9,13H,10-12H2,1H3;1-10,13H,11-12,14H2;2-9H,10-12H2,1H3.

What are the key properties of 10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one?

10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one has a molecular weight of 2203.53 g/mol, XLogP of 20.53, 11 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 10a-(4-chlorophenyl)-1-(furan-2-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(4-methylthiadiazole-5-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-methyl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-[1-methyl-5-(trifluoromethyl)pyrazole-4-carbonyl]-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one;10a-(4-chlorophenyl)-1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-3,10-dihydro-2H-imidazo[1,2-b]isoquinolin-5-one is sourced from PubChem (CID 158329177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).