4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one

C21H20N2O4 — CID 137029866

IUPAC4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)ccc1O
InChIInChI=1S/C21H20N2O4/c1-26-20-9-14(4-5-18(20)24)15-8-17-16(3-2-6-22-17)19(10-15)27-12-13-7-21(25)23-11-13/h2-6,8-10,13,24H,7,11-12H2,1H3,(H,23,25)
InChIKeyCJKMDCUJRPQOKY-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.13
Rot. Bonds5

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

4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 137029866) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID137029866
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)ccc1O
InChIInChI=1S/C21H20N2O4/c1-26-20-9-14(4-5-18(20)24)15-8-17-16(3-2-6-22-17)19(10-15)27-12-13-7-21(25)23-11-13/h2-6,8-10,13,24H,7,11-12H2,1H3,(H,23,25)
InChIKeyCJKMDCUJRPQOKY-UHFFFAOYSA-N
XLogP3.13
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one (CID 137029866) is 4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one is COc1cc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)ccc1O.
What is the InChIKey of 4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is CJKMDCUJRPQOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-26-20-9-14(4-5-18(20)24)15-8-17-16(3-2-6-22-17)19(10-15)27-12-13-7-21(25)23-11-13/h2-6,8-10,13,24H,7,11-12H2,1H3,(H,23,25).
What are the key properties of 4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 364.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 137029866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).