3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C47H49F2N7O5 — CID 177343898

About 3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177343898) has the molecular formula C47H49F2N7O5 and a molecular weight of 829.95 g/mol. Its IUPAC name is 3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 177343898
• Molecular Formula: C47H49F2N7O5
• Molecular Weight: 829.95 g/mol
• Exact Mass: 829.38
• IUPAC Name: 3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: Cc1cc2c(N3CCCc4cc(-c5cnn(C6CCN(c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)c5)c(C(F)F)cc43)cc(C3CCOCC3)cc2n(C)c1=O
• InChI: InChI=1S/C47H49F2N7O5/c1-27-18-38-41(52(2)46(27)59)21-30(28-11-16-61-17-12-28)22-42(38)54-13-3-4-29-20-36(37(44(48)49)23-40(29)54)32-24-50-56(26-32)33-9-14-53(15-10-33)34-5-6-35-31(19-34)25-55(47(35)60)39-7-8-43(57)51-45(39)58/h5-6,18-24,26,28,33,39,44H,3-4,7-17,25H2,1-2H3,(H,51,57,58)
• InChIKey: CDUNXBLOTAWXIG-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 122.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.95
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177343898) is 3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cc1cc2c(N3CCCc4cc(-c5cnn(C6CCN(c7ccc8c(c7)CN(C7CCC(=O)NC7=O)C8=O)CC6)c5)c(C(F)F)cc43)cc(C3CCOCC3)cc2n(C)c1=O.

What is the InChIKey of 3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is CDUNXBLOTAWXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H49F2N7O5/c1-27-18-38-41(52(2)46(27)59)21-30(28-11-16-61-17-12-28)22-42(38)54-13-3-4-29-20-36(37(44(48)49)23-40(29)54)32-24-50-56(26-32)33-9-14-53(15-10-33)34-5-6-35-31(19-34)25-55(47(35)60)39-7-8-43(57)51-45(39)58/h5-6,18-24,26,28,33,39,44H,3-4,7-17,25H2,1-2H3,(H,51,57,58).

What are the key properties of 3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 829.95 g/mol, XLogP of 7.23, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[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]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177343898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).