2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide

C26H30N4O2 — CID 55708866

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C26H30N4O2/c1-18-22-6-4-5-7-24(22)28-19(2)23(18)16-25(31)27-17-20-8-10-21(11-9-20)26(32)30-14-12-29(3)13-15-30/h4-11H,12-17H2,1-3H3,(H,27,31)
InChIKeyFALDSYAQLDTMAB-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.10
Rot. Bonds5

About 2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide

2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 55708866) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID55708866
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C26H30N4O2/c1-18-22-6-4-5-7-24(22)28-19(2)23(18)16-25(31)27-17-20-8-10-21(11-9-20)26(32)30-14-12-29(3)13-15-30/h4-11H,12-17H2,1-3H3,(H,27,31)
InChIKeyFALDSYAQLDTMAB-UHFFFAOYSA-N
XLogP3.10
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide 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-[2-(benzylsulfamoyl)ethyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 55726824
N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55725492
2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 55709108
1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55714392
2-(2,4-dimethylquinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 27256543
5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 55780170
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 78810073
2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 40713888
N-(2-benzylsulfanylethyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 27861043
2-chloro-N'-[2-(2,4-dimethylquinolin-3-yl)acetyl]benzohydrazide
CID 32925933
2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 17393557
2-(2,4-dimethylquinolin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 18160718

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide (CID 55708866) is 2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide is Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is FALDSYAQLDTMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18-22-6-4-5-7-24(22)28-19(2)23(18)16-25(31)27-17-20-8-10-21(11-9-20)26(32)30-14-12-29(3)13-15-30/h4-11H,12-17H2,1-3H3,(H,27,31).
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 430.55 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55708866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).