(2R)-N-[4-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

C51H59FN6O7 — CID 171833607

About (2R)-N-[4-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

(2R)-N-[4-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (PubChem CID 171833607) has the molecular formula C51H59FN6O7 and a molecular weight of 887.07 g/mol. Its IUPAC name is (2R)-N-[4-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[4-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
• PubChem CID: 171833607
• Molecular Formula: C51H59FN6O7
• Molecular Weight: 887.07 g/mol
• Exact Mass: 886.44
• IUPAC Name: (2R)-N-[4-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
• SMILES: C[C@@H](C(=O)Nc1ccc(OC2CCN(C(=O)CCCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
• InChI: InChI=1S/C51H59FN6O7/c1-32(33-12-14-34(15-13-33)39-24-28-54-42-21-16-35(52)31-41(39)42)48(61)55-36-17-19-37(20-18-36)65-38-25-29-57(30-26-38)46(60)11-6-4-2-3-5-7-27-53-43-10-8-9-40-47(43)51(64)58(50(40)63)44-22-23-45(59)56-49(44)62/h8-10,16-21,24,28,31-34,38,44,53H,2-7,11-15,22-23,25-27,29-30H2,1H3,(H,55,61)(H,56,59,62)/t32-,33?,34?,44?/m1/s1
• InChIKey: MWWBWLQGFZTKIE-ZOSCSKRSSA-N
• XLogP: 8.54
• TPSA: 167.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.07
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	3
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-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

The IUPAC name of (2R)-N-[4-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (CID 171833607) is (2R)-N-[4-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

What is the SMILES notation for (2R)-N-[4-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

The canonical SMILES for (2R)-N-[4-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is C[C@@H](C(=O)Nc1ccc(OC2CCN(C(=O)CCCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.

What is the InChIKey of (2R)-N-[4-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

The InChIKey is MWWBWLQGFZTKIE-ZOSCSKRSSA-N. The full InChI is InChI=1S/C51H59FN6O7/c1-32(33-12-14-34(15-13-33)39-24-28-54-42-21-16-35(52)31-41(39)42)48(61)55-36-17-19-37(20-18-36)65-38-25-29-57(30-26-38)46(60)11-6-4-2-3-5-7-27-53-43-10-8-9-40-47(43)51(64)58(50(40)63)44-22-23-45(59)56-49(44)62/h8-10,16-21,24,28,31-34,38,44,53H,2-7,11-15,22-23,25-27,29-30H2,1H3,(H,55,61)(H,56,59,62)/t32-,33?,34?,44?/m1/s1.

What are the key properties of (2R)-N-[4-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

(2R)-N-[4-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide has a molecular weight of 887.07 g/mol, XLogP of 8.54, 17 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[4-[1-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is sourced from PubChem (CID 171833607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).