8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one

C20H26N4O2 — CID 14627425

IUPAC8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one
SMILESCc1cccc2cc(N3CCN(CC(=O)N4CCCC4)CC3)c(=O)[nH]c12
InChIInChI=1S/C20H26N4O2/c1-15-5-4-6-16-13-17(20(26)21-19(15)16)23-11-9-22(10-12-23)14-18(25)24-7-2-3-8-24/h4-6,13H,2-3,7-12,14H2,1H3,(H,21,26)
InChIKeyHJYRQIAIJSMWCT-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.58
Rot. Bonds3

About 8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one

8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one (PubChem CID 14627425) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one
PubChem CID14627425
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one
SMILESCc1cccc2cc(N3CCN(CC(=O)N4CCCC4)CC3)c(=O)[nH]c12
InChIInChI=1S/C20H26N4O2/c1-15-5-4-6-16-13-17(20(26)21-19(15)16)23-11-9-22(10-12-23)14-18(25)24-7-2-3-8-24/h4-6,13H,2-3,7-12,14H2,1H3,(H,21,26)
InChIKeyHJYRQIAIJSMWCT-UHFFFAOYSA-N
XLogP1.58
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-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

2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110363048
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 46056295
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 1439327
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 71173381
4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]piperazine-1-carbaldehyde
CID 108995753
3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 110363057
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688048
N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide
CID 110363088
1-(azepan-1-yl)-2-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829879
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 57442352
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78793298

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one?
The IUPAC name of 8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one (CID 14627425) is 8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one is Cc1cccc2cc(N3CCN(CC(=O)N4CCCC4)CC3)c(=O)[nH]c12.
What is the InChIKey of 8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one?
The InChIKey is HJYRQIAIJSMWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-5-4-6-16-13-17(20(26)21-19(15)16)23-11-9-22(10-12-23)14-18(25)24-7-2-3-8-24/h4-6,13H,2-3,7-12,14H2,1H3,(H,21,26).
What are the key properties of 8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one?
8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one has a molecular weight of 354.45 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one is sourced from PubChem (CID 14627425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).