5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C47H47F2N7O6 — CID 177344019

About 5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 177344019) has the molecular formula C47H47F2N7O6 and a molecular weight of 843.93 g/mol. Its IUPAC name is 5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 177344019
• Molecular Formula: C47H47F2N7O6
• Molecular Weight: 843.93 g/mol
• Exact Mass: 843.36
• IUPAC Name: 5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: Cc1cc2c(N3CCCc4cc(-c5cnn(C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)c5)c(C(F)F)cc43)cc(C3CCOCC3)cc2n(C)c1=O
• InChI: InChI=1S/C47H47F2N7O6/c1-26-18-37-40(52(2)45(26)59)20-29(27-11-16-62-17-12-27)21-41(37)54-13-3-4-28-19-34(35(43(48)49)23-39(28)54)30-24-50-55(25-30)31-9-14-53(15-10-31)32-5-6-33-36(22-32)47(61)56(46(33)60)38-7-8-42(57)51-44(38)58/h5-6,18-25,27,31,38,43H,3-4,7-17H2,1-2H3,(H,51,57,58)
• InChIKey: BPUOITPVMNXVDI-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 139.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	843.93
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 177344019) is 5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Cc1cc2c(N3CCCc4cc(-c5cnn(C6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)c5)c(C(F)F)cc43)cc(C3CCOCC3)cc2n(C)c1=O.

What is the InChIKey of 5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is BPUOITPVMNXVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H47F2N7O6/c1-26-18-37-40(52(2)45(26)59)20-29(27-11-16-62-17-12-27)21-41(37)54-13-3-4-28-19-34(35(43(48)49)23-39(28)54)30-24-50-55(25-30)31-9-14-53(15-10-31)32-5-6-33-36(22-32)47(61)56(46(33)60)38-7-8-42(57)51-44(38)58/h5-6,18-25,27,31,38,43H,3-4,7-17H2,1-2H3,(H,51,57,58).

What are the key properties of 5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 843.93 g/mol, XLogP of 6.87, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[7-(difluoromethyl)-1-[1,3-dimethyl-7-(oxan-4-yl)-2-oxoquinolin-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 177344019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).