3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione

C23H25N3O4 — CID 148800333

IUPAC3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(c2coc3ccc4nc(OCCCN5CCCC5)ccc4c23)C(=O)N1
InChIInChI=1S/C23H25N3O4/c27-20-8-4-15(23(28)25-20)17-14-30-19-7-6-18-16(22(17)19)5-9-21(24-18)29-13-3-12-26-10-1-2-11-26/h5-7,9,14-15H,1-4,8,10-13H2,(H,25,27,28)
InChIKeyONWXXBWTOCTIRT-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.37
Rot. Bonds6

About 3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione

3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione (PubChem CID 148800333) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
PubChem CID148800333
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
SMILESO=C1CCC(c2coc3ccc4nc(OCCCN5CCCC5)ccc4c23)C(=O)N1
InChIInChI=1S/C23H25N3O4/c27-20-8-4-15(23(28)25-20)17-14-30-19-7-6-18-16(22(17)19)5-9-21(24-18)29-13-3-12-26-10-1-2-11-26/h5-7,9,14-15H,1-4,8,10-13H2,(H,25,27,28)
InChIKeyONWXXBWTOCTIRT-UHFFFAOYSA-N
XLogP3.37
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione (CID 148800333) is 3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione is O=C1CCC(c2coc3ccc4nc(OCCCN5CCCC5)ccc4c23)C(=O)N1.
What is the InChIKey of 3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The InChIKey is ONWXXBWTOCTIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-20-8-4-15(23(28)25-20)17-14-30-19-7-6-18-16(22(17)19)5-9-21(24-18)29-13-3-12-26-10-1-2-11-26/h5-7,9,14-15H,1-4,8,10-13H2,(H,25,27,28).
What are the key properties of 3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione has a molecular weight of 407.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 148800333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).