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

C23H25N3O4 — CID 158167056

IUPAC(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
SMILESO=C1CC[C@@H](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)/t15-/m0/s1
InChIKeyONWXXBWTOCTIRT-HNNXBMFYSA-N
MW407.47 g/mol
LogP3.37
Rot. Bonds6

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

(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione (PubChem CID 158167056) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
PubChem CID158167056
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name(3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
SMILESO=C1CC[C@@H](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)/t15-/m0/s1
InChIKeyONWXXBWTOCTIRT-HNNXBMFYSA-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'}

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

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Related Compounds

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-[(3R)-2,6-dioxopiperidin-3-yl]furo[3,2-f]quinolin-7-yl]oxyethylamino]piperidine-1-carboxylate
CID 166645487
(4R)-4-[7-(3-pyrrolidin-1-ylpropoxy)benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione
CID 157406757
(3S)-3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 158099478
3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 172538516
3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147536967
(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 167000970
3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 166645438
tert-butyl 4-[2-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]oxyethylamino]piperidine-1-carboxylate
CID 160599860
3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147267812
N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide
CID 177117602

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione (CID 158167056) is (3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione is O=C1CC[C@@H](c2coc3ccc4nc(OCCCN5CCCC5)ccc4c23)C(=O)N1.
What is the InChIKey of (3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The InChIKey is ONWXXBWTOCTIRT-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of (3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
(3S)-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 (3S)-3-[7-(3-pyrrolidin-1-ylpropoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 158167056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).