(4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C24H26N2O5 — CID 71240317

IUPAC(4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(OCC[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC
InChIInChI=1S/C24H26N2O5/c1-28-21-12-17(13-22(29-2)24(21)30-3)16-10-19-18(5-4-7-25-19)20(11-16)31-8-6-15-9-23(27)26-14-15/h4-5,7,10-13,15H,6,8-9,14H2,1-3H3,(H,26,27)/t15-/m1/s1
InChIKeyGXZOKHPSZAMSEE-OAHLLOKOSA-N
MW422.48 g/mol
LogP3.83
Rot. Bonds8

About (4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71240317) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is (4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71240317
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name(4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(OCC[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC
InChIInChI=1S/C24H26N2O5/c1-28-21-12-17(13-22(29-2)24(21)30-3)16-10-19-18(5-4-7-25-19)20(11-16)31-8-6-15-9-23(27)26-14-15/h4-5,7,10-13,15H,6,8-9,14H2,1-3H3,(H,26,27)/t15-/m1/s1
InChIKeyGXZOKHPSZAMSEE-OAHLLOKOSA-N
XLogP3.83
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one 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 (4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71240317) is (4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc(OCC[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC.
What is the InChIKey of (4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is GXZOKHPSZAMSEE-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-28-21-12-17(13-22(29-2)24(21)30-3)16-10-19-18(5-4-7-25-19)20(11-16)31-8-6-15-9-23(27)26-14-15/h4-5,7,10-13,15H,6,8-9,14H2,1-3H3,(H,26,27)/t15-/m1/s1.
What are the key properties of (4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 422.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71240317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).