6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine

C125H124FN25O19 — CID 158655405

About 6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine

6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine (PubChem CID 158655405) has the molecular formula C125H124FN25O19 and a molecular weight of 2299.52 g/mol. Its IUPAC name is 6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine.

Molecular Properties

• Compound Name: 6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine
• PubChem CID: 158655405
• Molecular Formula: C125H124FN25O19
• Molecular Weight: 2299.52 g/mol
• Exact Mass: 2297.95
• IUPAC Name: 6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine
• SMILES: Cc1ccc(F)nc1.Cc1ccc(N2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)nc1.Cc1ccc(N2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)nc1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.[C-]#[N+]c1ccc(OC2CCC(N)CC2)c2cccnc12.[C-]#[N+]c1ccc(OC2CCC(NC(=O)c3ccc(N4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)CC5=O)C6=O)CC4)nc3)CC2)c2cccnc12
• InChI: InChI=1S/C40H37N7O6.2C23H23N5O4.C17H18N4O4.C16H17N3O.C6H6FN/c1-41-32-12-14-35(30-3-2-16-42-37(30)32)53-28-9-5-25(6-10-28)44-38(50)24-4-15-36(43-23-24)46-19-17-45(18-20-46)26-7-11-29-31(21-26)40(52)47(39(29)51)33-13-8-27(48)22-34(33)49;2*1-14-2-6-19(24-13-14)27-10-8-26(9-11-27)15-3-4-16-17(12-15)23(32)28(22(16)31)18-5-7-20(29)25-21(18)30;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-18-14-8-9-15(13-3-2-10-19-16(13)14)20-12-6-4-11(17)5-7-12;1-5-2-3-6(7)8-4-5/h2-4,7,11-12,14-16,21,23,25,28,33H,5-6,8-10,13,17-20,22H2,(H,44,50);2*2-4,6,12-13,18H,5,7-11H2,1H3,(H,25,29,30);1-2,9,13,18H,3-8H2,(H,19,22,23);2-3,8-12H,4-7,17H2;2-4H,1H3
• InChIKey: ICBLMEVUPWQZBV-UHFFFAOYSA-N
• XLogP: 11.61
• TPSA: 516.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 17
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2299.52
LogP ≤ 5	11.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine?

The IUPAC name of 6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine (CID 158655405) is 6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine.

What is the SMILES notation for 6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine?

The canonical SMILES for 6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine is Cc1ccc(F)nc1.Cc1ccc(N2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)nc1.Cc1ccc(N2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)nc1.O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1.[C-]#[N+]c1ccc(OC2CCC(N)CC2)c2cccnc12.[C-]#[N+]c1ccc(OC2CCC(NC(=O)c3ccc(N4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)CC5=O)C6=O)CC4)nc3)CC2)c2cccnc12.

What is the InChIKey of 6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine?

The InChIKey is ICBLMEVUPWQZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37N7O6.2C23H23N5O4.C17H18N4O4.C16H17N3O.C6H6FN/c1-41-32-12-14-35(30-3-2-16-42-37(30)32)53-28-9-5-25(6-10-28)44-38(50)24-4-15-36(43-23-24)46-19-17-45(18-20-46)26-7-11-29-31(21-26)40(52)47(39(29)51)33-13-8-27(48)22-34(33)49;2*1-14-2-6-19(24-13-14)27-10-8-26(9-11-27)15-3-4-16-17(12-15)23(32)28(22(16)31)18-5-7-20(29)25-21(18)30;22-14-4-3-13(15(23)19-14)21-16(24)11-2-1-10(9-12(11)17(21)25)20-7-5-18-6-8-20;1-18-14-8-9-15(13-3-2-10-19-16(13)14)20-12-6-4-11(17)5-7-12;1-5-2-3-6(7)8-4-5/h2-4,7,11-12,14-16,21,23,25,28,33H,5-6,8-10,13,17-20,22H2,(H,44,50);2*2-4,6,12-13,18H,5,7-11H2,1H3,(H,25,29,30);1-2,9,13,18H,3-8H2,(H,19,22,23);2-3,8-12H,4-7,17H2;2-4H,1H3.

What are the key properties of 6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine?

6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine has a molecular weight of 2299.52 g/mol, XLogP of 11.61, 17 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-[4-(8-isocyanoquinolin-5-yl)oxycyclohexyl]pyridine-3-carboxamide;bis(2-(2,6-dioxopiperidin-3-yl)-5-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]isoindole-1,3-dione);2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;2-fluoro-5-methylpyridine;4-(8-isocyanoquinolin-5-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 158655405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).