3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one

C23H24N2O4 — CID 59527252

IUPAC3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one
SMILESCc1c(COc2cccc(OCCN3CCCC3=O)c2)[nH]c2ccccc2c1=O
InChIInChI=1S/C23H24N2O4/c1-16-21(24-20-9-3-2-8-19(20)23(16)27)15-29-18-7-4-6-17(14-18)28-13-12-25-11-5-10-22(25)26/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,24,27)
InChIKeyYVPAJFSLKQAFTP-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.42
Rot. Bonds7

About 3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one

3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one (PubChem CID 59527252) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one
PubChem CID59527252
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one
SMILESCc1c(COc2cccc(OCCN3CCCC3=O)c2)[nH]c2ccccc2c1=O
InChIInChI=1S/C23H24N2O4/c1-16-21(24-20-9-3-2-8-19(20)23(16)27)15-29-18-7-4-6-17(14-18)28-13-12-25-11-5-10-22(25)26/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,24,27)
InChIKeyYVPAJFSLKQAFTP-UHFFFAOYSA-N
XLogP3.42
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(3-hydroxy-3-methylbutoxy)phenoxy]methyl]-3-methyl-1H-quinolin-4-one
CID 25254019
2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one
CID 59527602
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
3-methyl-2-[6-[3-(2-piperidin-1-ylethoxy)phenyl]-3-pyridinyl]-1H-quinolin-4-one
CID 70685826
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
CID 43365814
1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
CID 59174585
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
N-(1-methylcyclobutyl)-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
CID 46969344
1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one (CID 59527252) is 3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one is Cc1c(COc2cccc(OCCN3CCCC3=O)c2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one?
The InChIKey is YVPAJFSLKQAFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16-21(24-20-9-3-2-8-19(20)23(16)27)15-29-18-7-4-6-17(14-18)28-13-12-25-11-5-10-22(25)26/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,24,27).
What are the key properties of 3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one?
3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one has a molecular weight of 392.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenoxy]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 59527252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).