4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one

C22H20N2O5 — CID 144516296

IUPAC4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)cc2c1OCO2
InChIInChI=1S/C22H20N2O5/c1-26-19-8-15(9-20-22(19)29-12-28-20)14-6-17-16(3-2-4-23-17)18(7-14)27-11-13-5-21(25)24-10-13/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25)
InChIKeyOYNVBCPOIYTQIF-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.15
Rot. Bonds5

About 4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one

4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 144516296) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID144516296
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)cc2c1OCO2
InChIInChI=1S/C22H20N2O5/c1-26-19-8-15(9-20-22(19)29-12-28-20)14-6-17-16(3-2-4-23-17)18(7-14)27-11-13-5-21(25)24-10-13/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25)
InChIKeyOYNVBCPOIYTQIF-UHFFFAOYSA-N
XLogP3.15
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]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

Related Compounds

(R)-4-((R)-1-((7-(3,4,5-Trimethoxyphenyl)-1,6-naphthyridin-5-yl)oxy)ethyl)pyrrolidin-2-one
CID 57404068
(5S,5aS,8aR,9R)-5-(quinolin-6-ylamino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
CID 155517008
2-(1,3-benzodioxol-5-yl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 153605824
(4R)-4-[(1R)-1-[[7-(3,4,5-triethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58071885
(4R)-4-[[7-[3-methoxy-4-[(3R)-oxolan-3-yl]oxyphenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072033
(4R)-4-[(1R)-1-[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
CID 58072037
(4R)-4-[(1R)-1-[[7-(7-methoxy-1,3-benzodioxol-5-yl)-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
CID 58072046
(4R)-4-[(1R)-1-[7-(6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71237900
(R)-4-((R)-1-(7-phenylquinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71237983
(R)-4-((R)-1-(7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71238155
(R)-4-((R)-1-(7-(3,4,5-trimethoxyphenyl)quinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71238463
(4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241892

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one (CID 144516296) is 4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one is COc1cc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)cc2c1OCO2.
What is the InChIKey of 4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is OYNVBCPOIYTQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-26-19-8-15(9-20-22(19)29-12-28-20)14-6-17-16(3-2-4-23-17)18(7-14)27-11-13-5-21(25)24-10-13/h2-4,6-9,13H,5,10-12H2,1H3,(H,24,25).
What are the key properties of 4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 392.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(7-methoxy-1,3-benzodioxol-5-yl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 144516296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).