(2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

C41H40ClFN4O8 — CID 162704253

About (2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

(2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (PubChem CID 162704253) has the molecular formula C41H40ClFN4O8 and a molecular weight of 771.24 g/mol. Its IUPAC name is (2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
• PubChem CID: 162704253
• Molecular Formula: C41H40ClFN4O8
• Molecular Weight: 771.24 g/mol
• Exact Mass: 770.25
• IUPAC Name: (2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
• SMILES: C[C@@H](C(=O)Nc1ccc(Cl)c(OCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)C1CCC(c2ccnc3ccc(F)cc23)CC1
• InChI: InChI=1S/C41H40ClFN4O8/c1-23(24-5-7-25(8-6-24)28-15-16-44-32-12-9-26(43)21-30(28)32)38(49)45-27-10-11-31(42)35(22-27)55-20-18-53-17-19-54-34-4-2-3-29-37(34)41(52)47(40(29)51)33-13-14-36(48)46-39(33)50/h2-4,9-12,15-16,21-25,33H,5-8,13-14,17-20H2,1H3,(H,45,49)(H,46,48,50)/t23-,24?,25?,33?/m1/s1
• InChIKey: IDLUNHSNLPIXGI-MLVHKHMVSA-N
• XLogP: 6.45
• TPSA: 153.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.24
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

The IUPAC name of (2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (CID 162704253) is (2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

What is the SMILES notation for (2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

The canonical SMILES for (2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is C[C@@H](C(=O)Nc1ccc(Cl)c(OCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)c1)C1CCC(c2ccnc3ccc(F)cc23)CC1.

What is the InChIKey of (2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

The InChIKey is IDLUNHSNLPIXGI-MLVHKHMVSA-N. The full InChI is InChI=1S/C41H40ClFN4O8/c1-23(24-5-7-25(8-6-24)28-15-16-44-32-12-9-26(43)21-30(28)32)38(49)45-27-10-11-31(42)35(22-27)55-20-18-53-17-19-54-34-4-2-3-29-37(34)41(52)47(40(29)51)33-13-14-36(48)46-39(33)50/h2-4,9-12,15-16,21-25,33H,5-8,13-14,17-20H2,1H3,(H,45,49)(H,46,48,50)/t23-,24?,25?,33?/m1/s1.

What are the key properties of (2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

(2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide has a molecular weight of 771.24 g/mol, XLogP of 6.45, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is sourced from PubChem (CID 162704253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).