1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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

C81H72Cl3N11O12S — CID 159227114

IUPAC1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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
SMILESCN1CC(=O)N(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C1=O.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(N5C(=O)CCC5=O)ccc34)c2O1)N1CCCCC1.O=C1CCC(=O)N1Cc1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1
InChIInChI=1S/C28H23ClN4O4.C27H24ClN3O4.C26H25ClN4O4S/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;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;1-29-14-22(32)31(26(29)34)13-17-12-20-24(36-17)18(5-6-28-20)19-11-16(27)9-15-10-21(35-23(15)19)25(33)30-7-3-2-4-8-30/h1-2,5,8-10,12,24,30H,3-4,6-7,11,13-14H2;4-5,8-9,12,14-15,23H,1-3,6-7,10-11,13H2;5-6,9,11-12,21H,2-4,7-8,10,13-14H2,1H3
InChIKeyKSKUEKRWONCAFN-UHFFFAOYSA-N
MW1529.96 g/mol
LogP13.37
Rot. Bonds11

About 1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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 159227114) has the molecular formula C81H72Cl3N11O12S and a molecular weight of 1529.96 g/mol. Its IUPAC name is 1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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 Name1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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 CID159227114
Molecular FormulaC81H72Cl3N11O12S
Molecular Weight1529.96 g/mol
Exact Mass1527.41
IUPAC Name1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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
SMILESCN1CC(=O)N(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C1=O.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(N5C(=O)CCC5=O)ccc34)c2O1)N1CCCCC1.O=C1CCC(=O)N1Cc1ccc2c(-c3cc(Cl)cc4c3OC(c3onc5c3CNCC5)C4)ccnc2c1
InChIInChI=1S/C28H23ClN4O4.C27H24ClN3O4.C26H25ClN4O4S/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;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;1-29-14-22(32)31(26(29)34)13-17-12-20-24(36-17)18(5-6-28-20)19-11-16(27)9-15-10-21(35-23(15)19)25(33)30-7-3-2-4-8-30/h1-2,5,8-10,12,24,30H,3-4,6-7,11,13-14H2;4-5,8-9,12,14-15,23H,1-3,6-7,10-11,13H2;5-6,9,11-12,21H,2-4,7-8,10,13-14H2,1H3
InChIKeyKSKUEKRWONCAFN-UHFFFAOYSA-N
XLogP13.37
TPSA260.42 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001529.96
LogP ≤ 513.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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 with MolForge

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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]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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 159227114) is 1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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 CN1CC(=O)N(Cc2cc3nccc(-c4cc(Cl)cc5c4OC(C(=O)N4CCCCC4)C5)c3s2)C1=O.O=C(C1Cc2cc(Cl)cc(-c3ccnc4cc(N5C(=O)CCC5=O)ccc34)c2O1)N1CCCCC1.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]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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 KSKUEKRWONCAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O4.C27H24ClN3O4.C26H25ClN4O4S/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;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;1-29-14-22(32)31(26(29)34)13-17-12-20-24(36-17)18(5-6-28-20)19-11-16(27)9-15-10-21(35-23(15)19)25(33)30-7-3-2-4-8-30/h1-2,5,8-10,12,24,30H,3-4,6-7,11,13-14H2;4-5,8-9,12,14-15,23H,1-3,6-7,10-11,13H2;5-6,9,11-12,21H,2-4,7-8,10,13-14H2,1H3.
What are the key properties of 1-[4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]quinolin-7-yl]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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 1529.96 g/mol, XLogP of 13.37, 11 rotatable bonds, 1 hydrogen bond donors, and 18 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]pyrrolidine-2,5-dione;3-[[7-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylimidazolidine-2,4-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 159227114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).