[5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone

C122H115Cl5N14O14S — CID 157100895

About [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone

[5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone (PubChem CID 157100895) has the molecular formula C122H115Cl5N14O14S and a molecular weight of 2210.68 g/mol. Its IUPAC name is [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
• PubChem CID: 157100895
• Molecular Formula: C122H115Cl5N14O14S
• Molecular Weight: 2210.68 g/mol
• Exact Mass: 2206.69
• IUPAC Name: [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
• SMILES: CC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CC(O)c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)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(-c3ccnc4cc[nH]c34)c2O1)N1CCCCC1
• InChI: InChI=1S/C27H24ClN3O3.C26H23ClN4O3.C25H25ClN2O3.C23H23ClN2O3S.C21H20ClN3O2/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;1-15(29)16-5-6-20-19(7-8-27-22(20)12-16)21-14-18(26)11-17-13-23(31-24(17)21)25(30)28-9-3-2-4-10-28;1-13(27)20-12-18-22(30-20)16(5-6-25-18)17-11-15(24)9-14-10-19(29-21(14)17)23(28)26-7-3-2-4-8-26;22-14-10-13-11-18(21(26)25-8-2-1-3-9-25)27-20(13)16(12-14)15-4-6-23-17-5-7-24-19(15)17/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);5-8,11-12,14-15,23,29H,2-4,9-10,13H2,1H3;5-6,9,11-13,19,27H,2-4,7-8,10H2,1H3;4-7,10,12,18,24H,1-3,8-9,11H2
• InChIKey: AFTCADPBBOVHHJ-UHFFFAOYSA-N
• XLogP: 22.90
• TPSA: 353.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2210.68
LogP ≤ 5	22.90
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

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]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?

The IUPAC name of [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone (CID 157100895) is [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone is CC(O)c1cc2nccc(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)c2s1.CC(O)c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)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(-c3ccnc4cc[nH]c34)c2O1)N1CCCCC1.

What is the InChIKey of [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?

The InChIKey is AFTCADPBBOVHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O3.C26H23ClN4O3.C25H25ClN2O3.C23H23ClN2O3S.C21H20ClN3O2/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;1-15(29)16-5-6-20-19(7-8-27-22(20)12-16)21-14-18(26)11-17-13-23(31-24(17)21)25(30)28-9-3-2-4-10-28;1-13(27)20-12-18-22(30-20)16(5-6-25-18)17-11-15(24)9-14-10-19(29-21(14)17)23(28)26-7-3-2-4-8-26;22-14-10-13-11-18(21(26)25-8-2-1-3-9-25)27-20(13)16(12-14)15-4-6-23-17-5-7-24-19(15)17/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);5-8,11-12,14-15,23,29H,2-4,9-10,13H2,1H3;5-6,9,11-13,19,27H,2-4,7-8,10H2,1H3;4-7,10,12,18,24H,1-3,8-9,11H2.

What are the key properties of [5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?

[5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone has a molecular weight of 2210.68 g/mol, XLogP of 22.90, 14 rotatable bonds, 7 hydrogen bond donors, and 21 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]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-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[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 157100895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).