3-[5-[4-[4-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C42H42F2N8O4 — CID 177343947

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

3-[5-[4-[4-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 177343947) has the molecular formula C42H42F2N8O4 and a molecular weight of 760.85 g/mol. Its IUPAC name is 3-[5-[4-[4-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[5-[4-[4-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• PubChem CID: 177343947
• Molecular Formula: C42H42F2N8O4
• Molecular Weight: 760.85 g/mol
• Exact Mass: 760.33
• IUPAC Name: 3-[5-[4-[4-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
• SMILES: Cc1cc2c(N3CCCc4cc(-c5cnn(C6CCN(c7ccc8c(c7)n(C)c(=O)n8C7CCC(=O)NC7=O)CC6)c5)c(C(F)F)cc43)cccc2n(C)c1=O
• InChI: InChI=1S/C42H42F2N8O4/c1-24-18-31-32(47(2)41(24)55)7-4-8-33(31)50-15-5-6-25-19-29(30(39(43)44)21-36(25)50)26-22-45-51(23-26)27-13-16-49(17-14-27)28-9-10-34-37(20-28)48(3)42(56)52(34)35-11-12-38(53)46-40(35)54/h4,7-10,18-23,27,35,39H,5-6,11-17H2,1-3H3,(H,46,53,54)
• InChIKey: UWJQNEWQQCBHLX-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 119.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	760.85
LogP ≤ 5	6.20
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 3-[5-[4-[4-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-[5-[4-[4-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 177343947) is 3-[5-[4-[4-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

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

The canonical SMILES for 3-[5-[4-[4-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is Cc1cc2c(N3CCCc4cc(-c5cnn(C6CCN(c7ccc8c(c7)n(C)c(=O)n8C7CCC(=O)NC7=O)CC6)c5)c(C(F)F)cc43)cccc2n(C)c1=O.

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

The InChIKey is UWJQNEWQQCBHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42F2N8O4/c1-24-18-31-32(47(2)41(24)55)7-4-8-33(31)50-15-5-6-25-19-29(30(39(43)44)21-36(25)50)26-22-45-51(23-26)27-13-16-49(17-14-27)28-9-10-34-37(20-28)48(3)42(56)52(34)35-11-12-38(53)46-40(35)54/h4,7-10,18-23,27,35,39H,5-6,11-17H2,1-3H3,(H,46,53,54).

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

3-[5-[4-[4-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 760.85 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[4-[4-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 177343947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).