tert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate

C28H34N4O6 — CID 166645487

IUPACtert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCCOc2ccc3c(ccc4occ([C@H]5CCC(=O)NC5=O)c43)n2)CC1
InChIInChI=1S/C28H34N4O6/c1-28(2,3)38-27(35)32-13-10-17(11-14-32)29-12-15-36-24-9-5-19-21(30-24)6-7-22-25(19)20(16-37-22)18-4-8-23(33)31-26(18)34/h5-7,9,16-18,29H,4,8,10-15H2,1-3H3,(H,31,33,34)/t18-/m1/s1
InChIKeyCXRIKGJJOCSPKT-GOSISDBHSA-N
MW522.60 g/mol
LogP3.87
Rot. Bonds6

About tert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate

tert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate (PubChem CID 166645487) has the molecular formula C28H34N4O6 and a molecular weight of 522.60 g/mol. Its IUPAC name is tert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate
PubChem CID166645487
Molecular FormulaC28H34N4O6
Molecular Weight522.60 g/mol
Exact Mass522.25
IUPAC Nametert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCCOc2ccc3c(ccc4occ([C@H]5CCC(=O)NC5=O)c43)n2)CC1
InChIInChI=1S/C28H34N4O6/c1-28(2,3)38-27(35)32-13-10-17(11-14-32)29-12-15-36-24-9-5-19-21(30-24)6-7-22-25(19)20(16-37-22)18-4-8-23(33)31-26(18)34/h5-7,9,16-18,29H,4,8,10-15H2,1-3H3,(H,31,33,34)/t18-/m1/s1
InChIKeyCXRIKGJJOCSPKT-GOSISDBHSA-N
XLogP3.87
TPSA123.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.60
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]oxyethylamino]piperidine-1-carboxylate
CID 160599860
(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
CID 158167056
tert-butyl N-[1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]carbamate
CID 158099480
4-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]cyclohexane-1,3-dione
CID 157101511
(3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 160897263
tert-butyl 4-[2-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1,2]benzoxazol-7-yl]oxyethyl-methylamino]piperidine-1-carboxylate
CID 161398393
tert-butyl 4-[[[6-(2,6-dioxopiperidin-3-yl)-3-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 178015468
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]piperazine-1-carboxylate
CID 170979417
N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide
CID 177117602
tert-butyl 4-[3-[[9-(2,4-dioxocyclohexyl)-7H-cyclopenta[f]quinolin-3-yl]oxy]propyl]piperidine-1-carboxylate;4-[7-(3-cyclohexylpropoxy)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;4-[7-[2-[methyl(oxan-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
CID 160611864
3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147267812
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-methylquinolin-6-yl]-4-hydroxypiperidine-1-carboxylate
CID 177017220

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate (CID 166645487) is tert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCCOc2ccc3c(ccc4occ([C@H]5CCC(=O)NC5=O)c43)n2)CC1.
What is the InChIKey of tert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate?
The InChIKey is CXRIKGJJOCSPKT-GOSISDBHSA-N. The full InChI is InChI=1S/C28H34N4O6/c1-28(2,3)38-27(35)32-13-10-17(11-14-32)29-12-15-36-24-9-5-19-21(30-24)6-7-22-25(19)20(16-37-22)18-4-8-23(33)31-26(18)34/h5-7,9,16-18,29H,4,8,10-15H2,1-3H3,(H,31,33,34)/t18-/m1/s1.
What are the key properties of tert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate?
tert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate has a molecular weight of 522.60 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[1-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 166645487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).