3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one

C20H26N2O3 — CID 53174835

IUPAC3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
SMILESCOCC1CCN(C(=O)CCc2cc3ccc(C)cc3[nH]c2=O)CC1
InChIInChI=1S/C20H26N2O3/c1-14-3-4-16-12-17(20(24)21-18(16)11-14)5-6-19(23)22-9-7-15(8-10-22)13-25-2/h3-4,11-12,15H,5-10,13H2,1-2H3,(H,21,24)
InChIKeyAVJLCESHLARYDS-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.65
Rot. Bonds5

About 3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one

3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one (PubChem CID 53174835) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
PubChem CID53174835
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
SMILESCOCC1CCN(C(=O)CCc2cc3ccc(C)cc3[nH]c2=O)CC1
InChIInChI=1S/C20H26N2O3/c1-14-3-4-16-12-17(20(24)21-18(16)11-14)5-6-19(23)22-9-7-15(8-10-22)13-25-2/h3-4,11-12,15H,5-10,13H2,1-2H3,(H,21,24)
InChIKeyAVJLCESHLARYDS-UHFFFAOYSA-N
XLogP2.65
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-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

7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174829
3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 110629324
7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110424937
ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 110298870
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331208
3-[[(2R)-2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 95228469
3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56721682
3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110330988
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56747678
3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one
CID 53174775

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one (CID 53174835) is 3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one is COCC1CCN(C(=O)CCc2cc3ccc(C)cc3[nH]c2=O)CC1.
What is the InChIKey of 3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is AVJLCESHLARYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-3-4-16-12-17(20(24)21-18(16)11-14)5-6-19(23)22-9-7-15(8-10-22)13-25-2/h3-4,11-12,15H,5-10,13H2,1-2H3,(H,21,24).
What are the key properties of 3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one?
3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 53174835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).