tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate

C24H28FN3O5 — CID 177017465

IUPACtert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2ccc3ncc(C4CCC(=O)NC4=O)cc3c2F)CC1
InChIInChI=1S/C24H28FN3O5/c1-23(2,3)33-22(31)28-10-8-24(32,9-11-28)17-5-6-18-16(20(17)25)12-14(13-26-18)15-4-7-19(29)27-21(15)30/h5-6,12-13,15,32H,4,7-11H2,1-3H3,(H,27,29,30)
InChIKeyUEQMASYEQHNFNO-UHFFFAOYSA-N
MW457.50 g/mol
LogP3.11
Rot. Bonds2

About tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate

tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate (PubChem CID 177017465) has the molecular formula C24H28FN3O5 and a molecular weight of 457.50 g/mol. Its IUPAC name is tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
PubChem CID177017465
Molecular FormulaC24H28FN3O5
Molecular Weight457.50 g/mol
Exact Mass457.20
IUPAC Nametert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(c2ccc3ncc(C4CCC(=O)NC4=O)cc3c2F)CC1
InChIInChI=1S/C24H28FN3O5/c1-23(2,3)33-22(31)28-10-8-24(32,9-11-28)17-5-6-18-16(20(17)25)12-14(13-26-18)15-4-7-19(29)27-21(15)30/h5-6,12-13,15,32H,4,7-11H2,1-3H3,(H,27,29,30)
InChIKeyUEQMASYEQHNFNO-UHFFFAOYSA-N
XLogP3.11
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
CID 177016082
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-8-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177017144
3-[6-(2-ethyl-5-hydroxy-2-azaspiro[5.5]undecan-5-yl)-5-fluoroquinolin-3-yl]piperidine-2,6-dione
CID 177017010
3-[5-fluoro-6-[(4R)-4-hydroxy-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016984
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)quinolin-6-yl]-4-hydroxy-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 177017390
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177017220
tert-butyl 4-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 166113298
5-[[4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxy-3,3-dimethylpiperidin-1-yl]methyl]pyridine-2-carboxamide
CID 177016739
3-[5-fluoro-6-[(4S)-4-hydroxy-3,3-dimethyl-1-[(1S)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177017501
3-[6-[3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptan-6-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione;ethane
CID 177017603
2-[4-[[(4S)-4-[3-[(3S)-2,6-dioxopiperidin-3-yl]-5-fluoroquinolin-6-yl]-4-hydroxy-3,3-dimethylpiperidin-1-yl]methyl]phenyl]-2-ethylbutanenitrile
CID 177016633
3-[6-[(4S)-1-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione
CID 177017369

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate (CID 177017465) is tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(c2ccc3ncc(C4CCC(=O)NC4=O)cc3c2F)CC1.
What is the InChIKey of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate?
The InChIKey is UEQMASYEQHNFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O5/c1-23(2,3)33-22(31)28-10-8-24(32,9-11-28)17-5-6-18-16(20(17)25)12-14(13-26-18)15-4-7-19(29)27-21(15)30/h5-6,12-13,15,32H,4,7-11H2,1-3H3,(H,27,29,30).
What are the key properties of tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate?
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate has a molecular weight of 457.50 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoroquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 177017465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).