3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

C46H41F2N7O4 — CID 177344157

About 3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (PubChem CID 177344157) has the molecular formula C46H41F2N7O4 and a molecular weight of 793.87 g/mol. Its IUPAC name is 3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
• PubChem CID: 177344157
• Molecular Formula: C46H41F2N7O4
• Molecular Weight: 793.87 g/mol
• Exact Mass: 793.32
• IUPAC Name: 3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
• SMILES: Cc1cc2c(N3CCCc4cc(-c5ccc(C6CCN(c7ccc8c9c(cccc79)C(=O)N8C7CCC(=O)NC7=O)CC6)nc5)c(C(F)F)cc43)nccc2n(C)c1=O
• InChI: InChI=1S/C46H41F2N7O4/c1-25-21-33-35(52(2)45(25)58)14-17-49-43(33)54-18-4-5-27-22-31(32(42(47)48)23-39(27)54)28-8-9-34(50-24-28)26-15-19-53(20-16-26)36-10-11-37-41-29(36)6-3-7-30(41)46(59)55(37)38-12-13-40(56)51-44(38)57/h3,6-11,14,17,21-24,26,38,42H,4-5,12-13,15-16,18-20H2,1-2H3,(H,51,56,57)
• InChIKey: LWXROCMBPOEMKJ-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 120.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.87
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (CID 177344157) is 3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is Cc1cc2c(N3CCCc4cc(-c5ccc(C6CCN(c7ccc8c9c(cccc79)C(=O)N8C7CCC(=O)NC7=O)CC6)nc5)c(C(F)F)cc43)nccc2n(C)c1=O.

What is the InChIKey of 3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?

The InChIKey is LWXROCMBPOEMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41F2N7O4/c1-25-21-33-35(52(2)45(25)58)14-17-49-43(33)54-18-4-5-27-22-31(32(42(47)48)23-39(27)54)28-8-9-34(50-24-28)26-15-19-53(20-16-26)36-10-11-37-41-29(36)6-3-7-30(41)46(59)55(37)38-12-13-40(56)51-44(38)57/h3,6-11,14,17,21-24,26,38,42H,4-5,12-13,15-16,18-20H2,1-2H3,(H,51,56,57).

What are the key properties of 3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?

3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione has a molecular weight of 793.87 g/mol, XLogP of 7.63, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[4-[5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-1,6-naphthyridin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]piperidin-1-yl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 177344157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).