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

C22H22N2O4 — CID 78045097

IUPAC4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)cc1OC
InChIInChI=1S/C22H22N2O4/c1-26-19-6-5-15(10-21(19)27-2)16-9-18-17(4-3-7-23-18)20(11-16)28-13-14-8-22(25)24-12-14/h3-7,9-11,14H,8,12-13H2,1-2H3,(H,24,25)
InChIKeyMBQKOMPKUUJXNN-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.43
Rot. Bonds6

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

4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 78045097) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID78045097
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)cc1OC
InChIInChI=1S/C22H22N2O4/c1-26-19-6-5-15(10-21(19)27-2)16-9-18-17(4-3-7-23-18)20(11-16)28-13-14-8-22(25)24-12-14/h3-7,9-11,14H,8,12-13H2,1-2H3,(H,24,25)
InChIKeyMBQKOMPKUUJXNN-UHFFFAOYSA-N
XLogP3.43
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one (CID 78045097) is 4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one is COc1ccc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)cc1OC.
What is the InChIKey of 4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is MBQKOMPKUUJXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-19-6-5-15(10-21(19)27-2)16-9-18-17(4-3-7-23-18)20(11-16)28-13-14-8-22(25)24-12-14/h3-7,9-11,14H,8,12-13H2,1-2H3,(H,24,25).
What are the key properties of 4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 378.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 78045097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).