N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide

C23H28N4O+2 — CID 9338791

IUPACN-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
SMILESCc1cccc(NC(=O)C[NH+]2CCN(c3ccc4ccccc4[nH+]3)CC2)c1C
InChIInChI=1S/C23H26N4O/c1-17-6-5-9-20(18(17)2)25-23(28)16-26-12-14-27(15-13-26)22-11-10-19-7-3-4-8-21(19)24-22/h3-11H,12-16H2,1-2H3,(H,25,28)/p+2
InChIKeyHZQSMEFPABVIMS-UHFFFAOYSA-P
MW376.50 g/mol
LogP1.61
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide

N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide (PubChem CID 9338791) has the molecular formula C23H28N4O+2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
PubChem CID9338791
Molecular FormulaC23H28N4O+2
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
SMILESCc1cccc(NC(=O)C[NH+]2CCN(c3ccc4ccccc4[nH+]3)CC2)c1C
InChIInChI=1S/C23H26N4O/c1-17-6-5-9-20(18(17)2)25-23(28)16-26-12-14-27(15-13-26)22-11-10-19-7-3-4-8-21(19)24-22/h3-11H,12-16H2,1-2H3,(H,25,28)/p+2
InChIKeyHZQSMEFPABVIMS-UHFFFAOYSA-P
XLogP1.61
TPSA50.92 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)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-(2,3-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2060925
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-methylphenyl)acetamide
CID 9435104
N-(2,3-dimethylphenyl)-2-[4-(2-naphthalen-1-ylacetyl)piperazin-1-ium-1-yl]acetamide
CID 9111340
N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592404
N-(2,3-dimethylphenyl)-2-[4-[(4-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide
CID 9215195
N-(3-chloro-2-methylphenyl)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435108
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-propylacetamide
CID 9435238
2-[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9338756
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 9435138
N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 9028740
N-(2,3-dimethylphenyl)-2-[4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8694513
N-(2,3-dimethylphenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8711910

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide (CID 9338791) is N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide is Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc4ccccc4[nH+]3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is HZQSMEFPABVIMS-UHFFFAOYSA-P. The full InChI is InChI=1S/C23H26N4O/c1-17-6-5-9-20(18(17)2)25-23(28)16-26-12-14-27(15-13-26)22-11-10-19-7-3-4-8-21(19)24-22/h3-11H,12-16H2,1-2H3,(H,25,28)/p+2.
What are the key properties of N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 376.50 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(4-quinolin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 9338791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).