2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone

C23H25N3O3 — CID 108741549

IUPAC2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(c3ccc4ccccc4n3)CC2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-28-20-9-7-17(15-21(20)29-2)16-23(27)26-13-11-25(12-14-26)22-10-8-18-5-3-4-6-19(18)24-22/h3-10,15H,11-14,16H2,1-2H3
InChIKeyFUSGCBRIGATFGF-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.14
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone

2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone (PubChem CID 108741549) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
PubChem CID108741549
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(c3ccc4ccccc4n3)CC2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-28-20-9-7-17(15-21(20)29-2)16-23(27)26-13-11-25(12-14-26)22-10-8-18-5-3-4-6-19(18)24-22/h3-10,15H,11-14,16H2,1-2H3
InChIKeyFUSGCBRIGATFGF-UHFFFAOYSA-N
XLogP3.14
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741397
2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 30773941
6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 53081684
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42110691
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
2-(3,4-dimethoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 6025296
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 31187475
2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347434

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone (CID 108741549) is 2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone is COc1ccc(CC(=O)N2CCN(c3ccc4ccccc4n3)CC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is FUSGCBRIGATFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-20-9-7-17(15-21(20)29-2)16-23(27)26-13-11-25(12-14-26)22-10-8-18-5-3-4-6-19(18)24-22/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone?
2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 391.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108741549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).