1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione

C108H93Cl4N15O17 — CID 158657816

About 1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione

1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 158657816) has the molecular formula C108H93Cl4N15O17 and a molecular weight of 2014.83 g/mol. Its IUPAC name is 1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione
• PubChem CID: 158657816
• Molecular Formula: C108H93Cl4N15O17
• Molecular Weight: 2014.83 g/mol
• Exact Mass: 2011.56
• IUPAC Name: 1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione
• SMILES: O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CN5C(=O)CCC5=O)ccc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(N5C(=O)CCC5=O)ccc34)c2O1)N1CCCCC1.O=C1CCC(=O)N1Cc1cc2ncnc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2o1.O=C1CCC(=O)N1Cc1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1
• InChI: InChI=1S/C28H23ClN4O4.C28H26ClN3O4.C27H24ClN3O4.C25H20ClN5O5/c29-17-10-16-11-24(28-21-13-30-7-6-22(21)32-37-28)36-27(16)20(12-17)18-5-8-31-23-9-15(1-2-19(18)23)14-33-25(34)3-4-26(33)35;29-19-13-18-14-24(28(35)31-10-2-1-3-11-31)36-27(18)22(15-19)20-8-9-30-23-12-17(4-5-21(20)23)16-32-25(33)6-7-26(32)34;28-17-12-16-13-23(27(34)30-10-2-1-3-11-30)35-26(16)21(14-17)19-8-9-29-22-15-18(4-5-20(19)22)31-24(32)6-7-25(31)33;26-13-5-12-6-19(24-16-9-27-4-3-17(16)30-36-24)35-23(12)15(7-13)22-25-18(28-11-29-22)8-14(34-25)10-31-20(32)1-2-21(31)33/h1-2,5,8-10,12,24,30H,3-4,6-7,11,13-14H2;4-5,8-9,12-13,15,24H,1-3,6-7,10-11,14,16H2;4-5,8-9,12,14-15,23H,1-3,6-7,10-11,13H2;5,7-8,11,19,27H,1-4,6,9-10H2
• InChIKey: ICJFPVLTDLDLAQ-UHFFFAOYSA-N
• XLogP: 17.06
• TPSA: 380.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2014.83
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione (CID 158657816) is 1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione is O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(CN5C(=O)CCC5=O)ccc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(N5C(=O)CCC5=O)ccc34)c2O1)N1CCCCC1.O=C1CCC(=O)N1Cc1cc2ncnc(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)c2o1.O=C1CCC(=O)N1Cc1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1.

What is the InChIKey of 1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione?

The InChIKey is ICJFPVLTDLDLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O4.C28H26ClN3O4.C27H24ClN3O4.C25H20ClN5O5/c29-17-10-16-11-24(28-21-13-30-7-6-22(21)32-37-28)36-27(16)20(12-17)18-5-8-31-23-9-15(1-2-19(18)23)14-33-25(34)3-4-26(33)35;29-19-13-18-14-24(28(35)31-10-2-1-3-11-31)36-27(18)22(15-19)20-8-9-30-23-12-17(4-5-21(20)23)16-32-25(33)6-7-26(32)34;28-17-12-16-13-23(27(34)30-10-2-1-3-11-30)35-26(16)21(14-17)19-8-9-29-22-15-18(4-5-20(19)22)31-24(32)6-7-25(31)33;26-13-5-12-6-19(24-16-9-27-4-3-17(16)30-36-24)35-23(12)15(7-13)22-25-18(28-11-29-22)8-14(34-25)10-31-20(32)1-2-21(31)33/h1-2,5,8-10,12,24,30H,3-4,6-7,11,13-14H2;4-5,8-9,12-13,15,24H,1-3,6-7,10-11,14,16H2;4-5,8-9,12,14-15,23H,1-3,6-7,10-11,13H2;5,7-8,11,19,27H,1-4,6,9-10H2.

What are the key properties of 1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione?

1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 2014.83 g/mol, XLogP of 17.06, 15 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione;1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]furo[3,2-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione;1-[[4-[5-chloro-2-(4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridin-3-yl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 158657816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).