[5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C124H115Cl5N18O14S — CID 162199067

About [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 162199067) has the molecular formula C124H115Cl5N18O14S and a molecular weight of 2290.73 g/mol. Its IUPAC name is [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
• PubChem CID: 162199067
• Molecular Formula: C124H115Cl5N18O14S
• Molecular Weight: 2290.73 g/mol
• Exact Mass: 2286.70
• IUPAC Name: [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
• SMILES: CC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCNCC3)C4)c2s1.CC(O)c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCNCC3)C4)ccnc2c1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(c2ccccc2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(c2cccnc2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccncc2)CC1
• InChI: InChI=1S/C27H24ClN3O3.C26H23ClN4O3.C25H22ClN5O2.C24H24ClN3O3.C22H22ClN3O3S/c28-19-14-17-15-23(26(32)31-12-8-27(33,9-13-31)18-4-2-1-3-5-18)34-24(17)22(16-19)20-6-10-29-25-21(20)7-11-30-25;27-18-12-16-13-22(25(32)31-10-5-26(33,6-11-31)17-2-1-7-28-15-17)34-23(16)21(14-18)19-3-8-29-24-20(19)4-9-30-24;26-17-13-16-14-22(25(32)31-11-9-30(10-12-31)18-1-5-27-6-2-18)33-23(16)21(15-17)19-3-7-28-24-20(19)4-8-29-24;1-14(29)15-2-3-19-18(4-5-27-21(19)11-15)20-13-17(25)10-16-12-22(31-23(16)20)24(30)28-8-6-26-7-9-28;1-12(27)19-11-17-21(30-19)15(2-3-25-17)16-10-14(23)8-13-9-18(29-20(13)16)22(28)26-6-4-24-5-7-26/h1-7,10-11,14,16,23,33H,8-9,12-13,15H2,(H,29,30);1-4,7-9,12,14-15,22,33H,5-6,10-11,13H2,(H,29,30);1-8,13,15,22H,9-12,14H2,(H,28,29);2-5,10-11,13-14,22,26,29H,6-9,12H2,1H3;2-3,8,10-12,18,24,27H,4-7,9H2,1H3
• InChIKey: ZRIKCQJJGTUIDS-UHFFFAOYSA-N
• XLogP: 19.47
• TPSA: 393.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2290.73
LogP ≤ 5	19.47
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?

The IUPAC name of [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 162199067) is [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

What is the SMILES notation for [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?

The canonical SMILES for [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is CC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCNCC3)C4)c2s1.CC(O)c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCNCC3)C4)ccnc2c1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(c2ccccc2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(c2cccnc2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccncc2)CC1.

What is the InChIKey of [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?

The InChIKey is ZRIKCQJJGTUIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O3.C26H23ClN4O3.C25H22ClN5O2.C24H24ClN3O3.C22H22ClN3O3S/c28-19-14-17-15-23(26(32)31-12-8-27(33,9-13-31)18-4-2-1-3-5-18)34-24(17)22(16-19)20-6-10-29-25-21(20)7-11-30-25;27-18-12-16-13-22(25(32)31-10-5-26(33,6-11-31)17-2-1-7-28-15-17)34-23(16)21(14-18)19-3-8-29-24-20(19)4-9-30-24;26-17-13-16-14-22(25(32)31-11-9-30(10-12-31)18-1-5-27-6-2-18)33-23(16)21(15-17)19-3-7-28-24-20(19)4-8-29-24;1-14(29)15-2-3-19-18(4-5-27-21(19)11-15)20-13-17(25)10-16-12-22(31-23(16)20)24(30)28-8-6-26-7-9-28;1-12(27)19-11-17-21(30-19)15(2-3-25-17)16-10-14(23)8-13-9-18(29-20(13)16)22(28)26-6-4-24-5-7-26/h1-7,10-11,14,16,23,33H,8-9,12-13,15H2,(H,29,30);1-4,7-9,12,14-15,22,33H,5-6,10-11,13H2,(H,29,30);1-8,13,15,22H,9-12,14H2,(H,28,29);2-5,10-11,13-14,22,26,29H,6-9,12H2,1H3;2-3,8,10-12,18,24,27H,4-7,9H2,1H3.

What are the key properties of [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?

[5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 2290.73 g/mol, XLogP of 19.47, 15 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 162199067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).