[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone

C117H112Cl5F4N11O11 — CID 159445894

About [5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone

[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone (PubChem CID 159445894) has the molecular formula C117H112Cl5F4N11O11 and a molecular weight of 2101.51 g/mol. Its IUPAC name is [5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
• PubChem CID: 159445894
• Molecular Formula: C117H112Cl5F4N11O11
• Molecular Weight: 2101.51 g/mol
• Exact Mass: 2097.69
• IUPAC Name: [5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
• SMILES: CNC(=O)c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4c3CCC4)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4c3CCCC4)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(C(F)(F)F)ccc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4ccc(F)cc34)c2O1)N1CCCCC1
• InChI: InChI=1S/C25H24ClN3O3.C24H20ClF3N2O2.C23H20ClFN2O2.C23H25ClN2O2.C22H23ClN2O2/c1-27-24(30)15-5-6-19-18(7-8-28-21(19)12-15)20-14-17(26)11-16-13-22(32-23(16)20)25(31)29-9-3-2-4-10-29;25-16-10-14-11-21(23(31)30-8-2-1-3-9-30)32-22(14)19(13-16)17-6-7-29-20-12-15(24(26,27)28)4-5-18(17)20;24-15-10-14-11-21(23(28)27-8-2-1-3-9-27)29-22(14)19(12-15)17-6-7-26-20-5-4-16(25)13-18(17)20;24-16-12-15-13-21(23(27)26-10-4-1-5-11-26)28-22(15)19(14-16)17-8-9-25-20-7-3-2-6-18(17)20;23-15-11-14-12-20(22(26)25-9-2-1-3-10-25)27-21(14)18(13-15)16-7-8-24-19-6-4-5-17(16)19/h5-8,11-12,14,22H,2-4,9-10,13H2,1H3,(H,27,30);4-7,10,12-13,21H,1-3,8-9,11H2;4-7,10,12-13,21H,1-3,8-9,11H2;8-9,12,14,21H,1-7,10-11,13H2;7-8,11,13,20H,1-6,9-10,12H2
• InChIKey: LSTILPHIPKVEIM-UHFFFAOYSA-N
• XLogP: 23.93
• TPSA: 241.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2101.51
LogP ≤ 5	23.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?

The IUPAC name of [5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone (CID 159445894) is [5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone is CNC(=O)c1ccc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2c1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4c3CCC4)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4c3CCCC4)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(C(F)(F)F)ccc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4ccc(F)cc34)c2O1)N1CCCCC1.

What is the InChIKey of [5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?

The InChIKey is LSTILPHIPKVEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3.C24H20ClF3N2O2.C23H20ClFN2O2.C23H25ClN2O2.C22H23ClN2O2/c1-27-24(30)15-5-6-19-18(7-8-28-21(19)12-15)20-14-17(26)11-16-13-22(32-23(16)20)25(31)29-9-3-2-4-10-29;25-16-10-14-11-21(23(31)30-8-2-1-3-9-30)32-22(14)19(13-16)17-6-7-29-20-12-15(24(26,27)28)4-5-18(17)20;24-15-10-14-11-21(23(28)27-8-2-1-3-9-27)29-22(14)19(12-15)17-6-7-26-20-5-4-16(25)13-18(17)20;24-16-12-15-13-21(23(27)26-10-4-1-5-11-26)28-22(15)19(14-16)17-8-9-25-20-7-3-2-6-18(17)20;23-15-11-14-12-20(22(26)25-9-2-1-3-10-25)27-21(14)18(13-15)16-7-8-24-19-6-4-5-17(16)19/h5-8,11-12,14,22H,2-4,9-10,13H2,1H3,(H,27,30);4-7,10,12-13,21H,1-3,8-9,11H2;4-7,10,12-13,21H,1-3,8-9,11H2;8-9,12,14,21H,1-7,10-11,13H2;7-8,11,13,20H,1-6,9-10,12H2.

What are the key properties of [5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone?

[5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone has a molecular weight of 2101.51 g/mol, XLogP of 23.93, 11 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [5-chloro-7-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(6-fluoroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylquinoline-7-carboxamide;[5-chloro-7-(5,6,7,8-tetrahydroquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[7-(trifluoromethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 159445894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).