N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide

C49H53FN8O6 — CID 155277930

IUPACN-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide
SMILESCC1(C)C(NC(=O)c2ccc(N3CCC(CCN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c(F)c2)C(C)(C)C1Oc1ccc(C#N)c2ncccc12
InChIInChI=1S/C49H53FN8O6/c1-48(2)46(49(3,4)47(48)64-39-13-8-31(28-51)41-34(39)6-5-18-52-41)54-42(60)30-7-11-37(36(50)26-30)57-20-16-29(17-21-57)15-19-55-22-24-56(25-23-55)32-9-10-33-35(27-32)45(63)58(44(33)62)38-12-14-40(59)53-43(38)61/h5-11,13,18,26-27,29,38,46-47H,12,14-17,19-25H2,1-4H3,(H,54,60)(H,53,59,61)
InChIKeyUFAVGQYODLFRJD-UHFFFAOYSA-N
MW869.01 g/mol
LogP5.69
Rot. Bonds10

About N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide

N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide (PubChem CID 155277930) has the molecular formula C49H53FN8O6 and a molecular weight of 869.01 g/mol. Its IUPAC name is N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide
PubChem CID155277930
Molecular FormulaC49H53FN8O6
Molecular Weight869.01 g/mol
Exact Mass868.41
IUPAC NameN-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide
SMILESCC1(C)C(NC(=O)c2ccc(N3CCC(CCN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c(F)c2)C(C)(C)C1Oc1ccc(C#N)c2ncccc12
InChIInChI=1S/C49H53FN8O6/c1-48(2)46(49(3,4)47(48)64-39-13-8-31(28-51)41-34(39)6-5-18-52-41)54-42(60)30-7-11-37(36(50)26-30)57-20-16-29(17-21-57)15-19-55-22-24-56(25-23-55)32-9-10-33-35(27-32)45(63)58(44(33)62)38-12-14-40(59)53-43(38)61/h5-11,13,18,26-27,29,38,46-47H,12,14-17,19-25H2,1-4H3,(H,54,60)(H,53,59,61)
InChIKeyUFAVGQYODLFRJD-UHFFFAOYSA-N
XLogP5.69
TPSA168.28 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500869.01
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide?
The IUPAC name of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide (CID 155277930) is N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide?
The canonical SMILES for N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide is CC1(C)C(NC(=O)c2ccc(N3CCC(CCN4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c(F)c2)C(C)(C)C1Oc1ccc(C#N)c2ncccc12.
What is the InChIKey of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide?
The InChIKey is UFAVGQYODLFRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H53FN8O6/c1-48(2)46(49(3,4)47(48)64-39-13-8-31(28-51)41-34(39)6-5-18-52-41)54-42(60)30-7-11-37(36(50)26-30)57-20-16-29(17-21-57)15-19-55-22-24-56(25-23-55)32-9-10-33-35(27-32)45(63)58(44(33)62)38-12-14-40(59)53-43(38)61/h5-11,13,18,26-27,29,38,46-47H,12,14-17,19-25H2,1-4H3,(H,54,60)(H,53,59,61).
What are the key properties of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide?
N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide has a molecular weight of 869.01 g/mol, XLogP of 5.69, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]-3-fluorobenzamide is sourced from PubChem (CID 155277930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).