tert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate

C23H25N3O6 — CID 152935502

IUPACtert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)n1
InChIInChI=1S/C23H25N3O6/c1-23(2,3)32-22(29)24-10-11-30-19-9-5-14-16(25-19)6-7-17-20(14)15(12-31-17)13-4-8-18(27)26-21(13)28/h5-7,9,12-13H,4,8,10-11H2,1-3H3,(H,24,29)(H,26,27,28)
InChIKeyULTXOYYCBZMALG-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.40
Rot. Bonds5

About tert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate

tert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate (PubChem CID 152935502) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate
PubChem CID152935502
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Nametert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)n1
InChIInChI=1S/C23H25N3O6/c1-23(2,3)32-22(29)24-10-11-30-19-9-5-14-16(25-19)6-7-17-20(14)15(12-31-17)13-4-8-18(27)26-21(13)28/h5-7,9,12-13H,4,8,10-11H2,1-3H3,(H,24,29)(H,26,27,28)
InChIKeyULTXOYYCBZMALG-UHFFFAOYSA-N
XLogP3.40
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate 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 tert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate (CID 152935502) is tert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)n1.
What is the InChIKey of tert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate?
The InChIKey is ULTXOYYCBZMALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-23(2,3)32-22(29)24-10-11-30-19-9-5-14-16(25-19)6-7-17-20(14)15(12-31-17)13-4-8-18(27)26-21(13)28/h5-7,9,12-13H,4,8,10-11H2,1-3H3,(H,24,29)(H,26,27,28).
What are the key properties of tert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate?
tert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate has a molecular weight of 439.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2,6-dioxopiperidin-3-yl)furo[3,2-f]quinolin-7-yl]oxyethyl]carbamate is sourced from PubChem (CID 152935502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).