8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one

C20H27N3O2 — CID 110363048

IUPAC8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCCCC(=O)N1CCN(Cc2cc3cccc(C)c3[nH]c2=O)CC1
InChIInChI=1S/C20H27N3O2/c1-3-4-8-18(24)23-11-9-22(10-12-23)14-17-13-16-7-5-6-15(2)19(16)21-20(17)25/h5-7,13H,3-4,8-12,14H2,1-2H3,(H,21,25)
InChIKeyJEUYMYJJOWVSFB-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.67
Rot. Bonds5

About 8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one

8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 110363048) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID110363048
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCCCC(=O)N1CCN(Cc2cc3cccc(C)c3[nH]c2=O)CC1
InChIInChI=1S/C20H27N3O2/c1-3-4-8-18(24)23-11-9-22(10-12-23)14-17-13-16-7-5-6-15(2)19(16)21-20(17)25/h5-7,13H,3-4,8-12,14H2,1-2H3,(H,21,25)
InChIKeyJEUYMYJJOWVSFB-UHFFFAOYSA-N
XLogP2.67
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-methyl-3-[(4-pentanoylpiperazin-1-yl)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

N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide
CID 110363088
3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 110363057
8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331072
phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363086
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 110324363
2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 56702172
8-methyl-3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-quinolin-2-one
CID 91782616
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 110363318
8-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-quinolin-2-one
CID 14627425
N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2022966

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one (CID 110363048) is 8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one is CCCCC(=O)N1CCN(Cc2cc3cccc(C)c3[nH]c2=O)CC1.
What is the InChIKey of 8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is JEUYMYJJOWVSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-4-8-18(24)23-11-9-22(10-12-23)14-17-13-16-7-5-6-15(2)19(16)21-20(17)25/h5-7,13H,3-4,8-12,14H2,1-2H3,(H,21,25).
What are the key properties of 8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 341.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 110363048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).