1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one

C161H183ClN18O25S8 — CID 161015041

About 1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one

1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one (PubChem CID 161015041) has the molecular formula C161H183ClN18O25S8 and a molecular weight of 3062.32 g/mol. Its IUPAC name is 1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one
• PubChem CID: 161015041
• Molecular Formula: C161H183ClN18O25S8
• Molecular Weight: 3062.32 g/mol
• Exact Mass: 3059.11
• IUPAC Name: 1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one
• SMILES: C=C(Cc1cc(CC)cc(OC)c1OC)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.CCn1cc(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21.Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2ccccc12.Cc1cc(C)n2nc(C)c(C(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2n1.Cc1ccc2nc(C)c(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2c1.Cc1nn2cccnc2c1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1.O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2nc(Cl)ccc2c1
• InChI: InChI=1S/C26H34N2O5S.C24H26N2O4S.C23H28N4O3S.C23H26N2O4S.C22H21ClN2O3S.C22H24N2O3S2.C21H24N4O3S/c1-5-20-16-22(25(33-4)24(17-20)32-3)15-19(2)26(29)27-18-21-9-11-23(12-10-21)34(30,31)28-13-7-6-8-14-28;1-17-3-9-23-20(15-17)16-22(18(2)25-23)24(27)10-6-19-4-7-21(8-5-19)31(28,29)26-11-13-30-14-12-26;1-16-15-17(2)27-23(24-16)22(18(3)25-27)21(28)12-9-19-7-10-20(11-8-19)31(29,30)26-13-5-4-6-14-26;1-2-24-17-21(20-5-3-4-6-22(20)24)23(26)12-9-18-7-10-19(11-8-18)30(27,28)25-13-15-29-16-14-25;23-22-12-7-17-15-18(6-10-20(17)24-22)21(26)11-5-16-3-8-19(9-4-16)29(27,28)25-13-1-2-14-25;1-16-19-7-3-4-8-20(19)28-21(16)22(25)23-15-17-9-11-18(12-10-17)29(26,27)24-13-5-2-6-14-24;1-16-20(21-22-12-5-15-25(21)23-16)19(26)11-8-17-6-9-18(10-7-17)29(27,28)24-13-3-2-4-14-24/h9-12,16-17H,2,5-8,13-15,18H2,1,3-4H3,(H,27,29);3-5,7-9,15-16H,6,10-14H2,1-2H3;7-8,10-11,15H,4-6,9,12-14H2,1-3H3;3-8,10-11,17H,2,9,12-16H2,1H3;3-4,6-10,12,15H,1-2,5,11,13-14H2;3-4,7-12H,2,5-6,13-15H2,1H3,(H,23,25);5-7,9-10,12,15H,2-4,8,11,13-14H2,1H3
• InChIKey: TXPPASXOGQLNQE-UHFFFAOYSA-N
• XLogP: 26.52
• TPSA: 533.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 46
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3062.32
LogP ≤ 5	26.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

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 1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one?

The IUPAC name of 1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one (CID 161015041) is 1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one.

What is the SMILES notation for 1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one?

The canonical SMILES for 1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one is C=C(Cc1cc(CC)cc(OC)c1OC)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.CCn1cc(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21.Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2ccccc12.Cc1cc(C)n2nc(C)c(C(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2n1.Cc1ccc2nc(C)c(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2c1.Cc1nn2cccnc2c1C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1.O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2nc(Cl)ccc2c1.

What is the InChIKey of 1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one?

The InChIKey is TXPPASXOGQLNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5S.C24H26N2O4S.C23H28N4O3S.C23H26N2O4S.C22H21ClN2O3S.C22H24N2O3S2.C21H24N4O3S/c1-5-20-16-22(25(33-4)24(17-20)32-3)15-19(2)26(29)27-18-21-9-11-23(12-10-21)34(30,31)28-13-7-6-8-14-28;1-17-3-9-23-20(15-17)16-22(18(2)25-23)24(27)10-6-19-4-7-21(8-5-19)31(28,29)26-11-13-30-14-12-26;1-16-15-17(2)27-23(24-16)22(18(3)25-27)21(28)12-9-19-7-10-20(11-8-19)31(29,30)26-13-5-4-6-14-26;1-2-24-17-21(20-5-3-4-6-22(20)24)23(26)12-9-18-7-10-19(11-8-18)30(27,28)25-13-15-29-16-14-25;23-22-12-7-17-15-18(6-10-20(17)24-22)21(26)11-5-16-3-8-19(9-4-16)29(27,28)25-13-1-2-14-25;1-16-19-7-3-4-8-20(19)28-21(16)22(25)23-15-17-9-11-18(12-10-17)29(26,27)24-13-5-2-6-14-24;1-16-20(21-22-12-5-15-25(21)23-16)19(26)11-8-17-6-9-18(10-7-17)29(27,28)24-13-3-2-4-14-24/h9-12,16-17H,2,5-8,13-15,18H2,1,3-4H3,(H,27,29);3-5,7-9,15-16H,6,10-14H2,1-2H3;7-8,10-11,15H,4-6,9,12-14H2,1-3H3;3-8,10-11,17H,2,9,12-16H2,1H3;3-4,6-10,12,15H,1-2,5,11,13-14H2;3-4,7-12H,2,5-6,13-15H2,1H3,(H,23,25);5-7,9-10,12,15H,2-4,8,11,13-14H2,1H3.

What are the key properties of 1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one?

1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one has a molecular weight of 3062.32 g/mol, XLogP of 26.52, 46 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloroquinolin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one;1-(2,6-dimethylquinolin-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide;1-(1-ethylindol-3-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;3-(4-piperidin-1-ylsulfonylphenyl)-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)propan-1-one is sourced from PubChem (CID 161015041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).