2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide

C22H24N4O — CID 134017909

IUPAC2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C22H24N4O/c1-17-15-21(24-20-10-6-5-9-19(17)20)26-13-11-25(12-14-26)16-22(27)23-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,23,27)
InChIKeyIYTRAXZKMCIJMS-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.30
Rot. Bonds4

About 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide

2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 134017909) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide
PubChem CID134017909
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C22H24N4O/c1-17-15-21(24-20-10-6-5-9-19(17)20)26-13-11-25(12-14-26)16-22(27)23-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,23,27)
InChIKeyIYTRAXZKMCIJMS-UHFFFAOYSA-N
XLogP3.30
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetamide
CID 51323012
2-[4-[(4-methylquinolin-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 134006987
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144
3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765024
2-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166224
4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
CID 45370344
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-6-(propanoylamino)quinoline-4-carboxylic acid
CID 50783972
N-phenyl-2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]acetamide
CID 133370977
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 71858345
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 32680776
5-bromo-2-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 108742586

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide (CID 134017909) is 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide is Cc1cc(N2CCN(CC(=O)Nc3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is IYTRAXZKMCIJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-15-21(24-20-10-6-5-9-19(17)20)26-13-11-25(12-14-26)16-22(27)23-18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,23,27).
What are the key properties of 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 360.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 134017909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).