(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide

C54H63FN8O7 — CID 171833590

IUPAC(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(OC2CCN(C(=O)CN3CCC(N4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)N(C)C5=O)C6=O)CC4)CC3)CC2)c1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C54H63FN8O7/c1-34(35-6-8-36(9-7-35)43-16-21-56-47-13-10-37(55)30-45(43)47)51(66)57-38-4-3-5-42(31-38)70-41-19-24-62(25-20-41)50(65)33-59-22-17-39(18-23-59)60-26-28-61(29-27-60)40-11-12-44-46(32-40)53(68)63(52(44)67)48-14-15-49(64)58(2)54(48)69/h3-5,10-13,16,21,30-32,34-36,39,41,48H,6-9,14-15,17-20,22-29,33H2,1-2H3,(H,57,66)/t34-,35?,36?,48?/m1/s1
InChIKeyMTQMYQXWKIFGFK-YMFVTAEKSA-N
MW955.14 g/mol
LogP6.32
Rot. Bonds11

About (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide

(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide (PubChem CID 171833590) has the molecular formula C54H63FN8O7 and a molecular weight of 955.14 g/mol. Its IUPAC name is (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide
PubChem CID171833590
Molecular FormulaC54H63FN8O7
Molecular Weight955.14 g/mol
Exact Mass954.48
IUPAC Name(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(OC2CCN(C(=O)CN3CCC(N4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)N(C)C5=O)C6=O)CC4)CC3)CC2)c1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C54H63FN8O7/c1-34(35-6-8-36(9-7-35)43-16-21-56-47-13-10-37(55)30-45(43)47)51(66)57-38-4-3-5-42(31-38)70-41-19-24-62(25-20-41)50(65)33-59-22-17-39(18-23-59)60-26-28-61(29-27-60)40-11-12-44-46(32-40)53(68)63(52(44)67)48-14-15-49(64)58(2)54(48)69/h3-5,10-13,16,21,30-32,34-36,39,41,48H,6-9,14-15,17-20,22-29,33H2,1-2H3,(H,57,66)/t34-,35?,36?,48?/m1/s1
InChIKeyMTQMYQXWKIFGFK-YMFVTAEKSA-N
XLogP6.32
TPSA156.01 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500955.14
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]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)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide?
The IUPAC name of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide (CID 171833590) is (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide.
What is the SMILES notation for (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide?
The canonical SMILES for (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide is C[C@@H](C(=O)Nc1cccc(OC2CCN(C(=O)CN3CCC(N4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)N(C)C5=O)C6=O)CC4)CC3)CC2)c1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide?
The InChIKey is MTQMYQXWKIFGFK-YMFVTAEKSA-N. The full InChI is InChI=1S/C54H63FN8O7/c1-34(35-6-8-36(9-7-35)43-16-21-56-47-13-10-37(55)30-45(43)47)51(66)57-38-4-3-5-42(31-38)70-41-19-24-62(25-20-41)50(65)33-59-22-17-39(18-23-59)60-26-28-61(29-27-60)40-11-12-44-46(32-40)53(68)63(52(44)67)48-14-15-49(64)58(2)54(48)69/h3-5,10-13,16,21,30-32,34-36,39,41,48H,6-9,14-15,17-20,22-29,33H2,1-2H3,(H,57,66)/t34-,35?,36?,48?/m1/s1.
What are the key properties of (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide?
(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide has a molecular weight of 955.14 g/mol, XLogP of 6.32, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-N-[3-[1-[2-[4-[4-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]acetyl]piperidin-4-yl]oxyphenyl]propanamide is sourced from PubChem (CID 171833590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).