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

C43H45FN4O9 — CID 162704247

IUPAC(2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C43H45FN4O9/c1-26(27-5-7-28(8-6-27)32-17-18-45-35-14-9-29(44)25-34(32)35)40(50)46-30-10-12-31(13-11-30)56-23-21-54-19-20-55-22-24-57-37-4-2-3-33-39(37)43(53)48(42(33)52)36-15-16-38(49)47-41(36)51/h2-4,9-14,17-18,25-28,36H,5-8,15-16,19-24H2,1H3,(H,46,50)(H,47,49,51)/t26-,27?,28?,36?/m1/s1
InChIKeyPNKAQPREROSSJA-VIXSKNLFSA-N
MW780.85 g/mol
LogP5.81
Rot. Bonds16

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

(2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (PubChem CID 162704247) has the molecular formula C43H45FN4O9 and a molecular weight of 780.85 g/mol. Its IUPAC name is (2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
PubChem CID162704247
Molecular FormulaC43H45FN4O9
Molecular Weight780.85 g/mol
Exact Mass780.32
IUPAC Name(2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C43H45FN4O9/c1-26(27-5-7-28(8-6-27)32-17-18-45-35-14-9-29(44)25-34(32)35)40(50)46-30-10-12-31(13-11-30)56-23-21-54-19-20-55-22-24-57-37-4-2-3-33-39(37)43(53)48(42(33)52)36-15-16-38(49)47-41(36)51/h2-4,9-14,17-18,25-28,36H,5-8,15-16,19-24H2,1H3,(H,46,50)(H,47,49,51)/t26-,27?,28?,36?/m1/s1
InChIKeyPNKAQPREROSSJA-VIXSKNLFSA-N
XLogP5.81
TPSA162.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.85
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The IUPAC name of (2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (CID 162704247) is (2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.
What is the SMILES notation for (2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The canonical SMILES for (2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is C[C@@H](C(=O)Nc1ccc(OCCOCCOCCOc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of (2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The InChIKey is PNKAQPREROSSJA-VIXSKNLFSA-N. The full InChI is InChI=1S/C43H45FN4O9/c1-26(27-5-7-28(8-6-27)32-17-18-45-35-14-9-29(44)25-34(32)35)40(50)46-30-10-12-31(13-11-30)56-23-21-54-19-20-55-22-24-57-37-4-2-3-33-39(37)43(53)48(42(33)52)36-15-16-38(49)47-41(36)51/h2-4,9-14,17-18,25-28,36H,5-8,15-16,19-24H2,1H3,(H,46,50)(H,47,49,51)/t26-,27?,28?,36?/m1/s1.
What are the key properties of (2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
(2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide has a molecular weight of 780.85 g/mol, XLogP of 5.81, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is sourced from PubChem (CID 162704247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).