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

C22H23N3O4 — CID 157325137

IUPAC(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
SMILESO=C1CC[C@H](c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)N1
InChIInChI=1S/C22H23N3O4/c26-19-7-3-14(22(27)24-19)16-13-29-18-6-5-17-15(21(16)18)4-8-20(23-17)28-12-11-25-9-1-2-10-25/h4-6,8,13-14H,1-3,7,9-12H2,(H,24,26,27)/t14-/m1/s1
InChIKeyNXIHQYGDVJQAAA-CQSZACIVSA-N
MW393.44 g/mol
LogP2.98
Rot. Bonds5

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

(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione (PubChem CID 157325137) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
PubChem CID157325137
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
SMILESO=C1CC[C@H](c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)N1
InChIInChI=1S/C22H23N3O4/c26-19-7-3-14(22(27)24-19)16-13-29-18-6-5-17-15(21(16)18)4-8-20(23-17)28-12-11-25-9-1-2-10-25/h4-6,8,13-14H,1-3,7,9-12H2,(H,24,26,27)/t14-/m1/s1
InChIKeyNXIHQYGDVJQAAA-CQSZACIVSA-N
XLogP2.98
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione 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 (3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione (CID 157325137) is (3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione is O=C1CC[C@H](c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)N1.
What is the InChIKey of (3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The InChIKey is NXIHQYGDVJQAAA-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-19-7-3-14(22(27)24-19)16-13-29-18-6-5-17-15(21(16)18)4-8-20(23-17)28-12-11-25-9-1-2-10-25/h4-6,8,13-14H,1-3,7,9-12H2,(H,24,26,27)/t14-/m1/s1.
What are the key properties of (3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione has a molecular weight of 393.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 157325137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).