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

C47H50FN5O10 — CID 162704219

IUPAC(2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OC2CN(C(=O)CCOCCOCCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C47H50FN5O10/c1-28(29-5-7-30(8-6-29)35-17-19-49-38-14-9-31(48)25-37(35)38)44(56)50-32-10-12-33(13-11-32)63-34-26-52(27-34)42(55)18-20-60-21-22-61-23-24-62-40-4-2-3-36-43(40)47(59)53(46(36)58)39-15-16-41(54)51-45(39)57/h2-4,9-14,17,19,25,28-30,34,39H,5-8,15-16,18,20-24,26-27H2,1H3,(H,50,56)(H,51,54,57)/t28-,29?,30?,39?/m1/s1
InChIKeyPSITTYJMZAMQJE-SXZSIPBVSA-N
MW863.94 g/mol
LogP5.42
Rot. Bonds17

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

(2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (PubChem CID 162704219) has the molecular formula C47H50FN5O10 and a molecular weight of 863.94 g/mol. Its IUPAC name is (2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
PubChem CID162704219
Molecular FormulaC47H50FN5O10
Molecular Weight863.94 g/mol
Exact Mass863.35
IUPAC Name(2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OC2CN(C(=O)CCOCCOCCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C47H50FN5O10/c1-28(29-5-7-30(8-6-29)35-17-19-49-38-14-9-31(48)25-37(35)38)44(56)50-32-10-12-33(13-11-32)63-34-26-52(27-34)42(55)18-20-60-21-22-61-23-24-62-40-4-2-3-36-43(40)47(59)53(46(36)58)39-15-16-41(54)51-45(39)57/h2-4,9-14,17,19,25,28-30,34,39H,5-8,15-16,18,20-24,26-27H2,1H3,(H,50,56)(H,51,54,57)/t28-,29?,30?,39?/m1/s1
InChIKeyPSITTYJMZAMQJE-SXZSIPBVSA-N
XLogP5.42
TPSA182.77 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.94
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The IUPAC name of (2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (CID 162704219) is (2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.
What is the SMILES notation for (2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The canonical SMILES for (2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is C[C@@H](C(=O)Nc1ccc(OC2CN(C(=O)CCOCCOCCOc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of (2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
The InChIKey is PSITTYJMZAMQJE-SXZSIPBVSA-N. The full InChI is InChI=1S/C47H50FN5O10/c1-28(29-5-7-30(8-6-29)35-17-19-49-38-14-9-31(48)25-37(35)38)44(56)50-32-10-12-33(13-11-32)63-34-26-52(27-34)42(55)18-20-60-21-22-61-23-24-62-40-4-2-3-36-43(40)47(59)53(46(36)58)39-15-16-41(54)51-45(39)57/h2-4,9-14,17,19,25,28-30,34,39H,5-8,15-16,18,20-24,26-27H2,1H3,(H,50,56)(H,51,54,57)/t28-,29?,30?,39?/m1/s1.
What are the key properties of (2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?
(2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide has a molecular weight of 863.94 g/mol, XLogP of 5.42, 17 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is sourced from PubChem (CID 162704219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).