2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

C25H29N3O2 — CID 8850901

IUPAC2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
SMILESCc1nc2ccccc2c(C)c1CC(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c1-19-22-10-6-7-11-24(22)26-20(2)23(19)18-25(29)28-14-12-27(13-15-28)16-17-30-21-8-4-3-5-9-21/h3-11H,12-18H2,1-2H3
InChIKeyUALXKWJPHKBXNY-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.62
Rot. Bonds6

About 2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone (PubChem CID 8850901) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
PubChem CID8850901
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
SMILESCc1nc2ccccc2c(C)c1CC(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c1-19-22-10-6-7-11-24(22)26-20(2)23(19)18-25(29)28-14-12-27(13-15-28)16-17-30-21-8-4-3-5-9-21/h3-11H,12-18H2,1-2H3
InChIKeyUALXKWJPHKBXNY-UHFFFAOYSA-N
XLogP3.62
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156766
1-(1,4-diazepan-1-yl)-2-(2,4-dimethylquinolin-3-yl)ethanone
CID 119415901
2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 17393557
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
CID 70704854
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 78788994
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-propan-2-ylsulfanylethanone
CID 91788757
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 86285777
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-4-phenylquinolin-3-yl)ethanone
CID 112762995
1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 30007560
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone (CID 8850901) is 2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone is Cc1nc2ccccc2c(C)c1CC(=O)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
The InChIKey is UALXKWJPHKBXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-19-22-10-6-7-11-24(22)26-20(2)23(19)18-25(29)28-14-12-27(13-15-28)16-17-30-21-8-4-3-5-9-21/h3-11H,12-18H2,1-2H3.
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone?
2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone has a molecular weight of 403.53 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 8850901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).